217493-71-5,MFCD00974750
Catalog No.:AA00I45C

217493-71-5 | 1,3(2H,4H)-Isoquinolinedione, 2-[(4-methoxyphenyl)methyl]-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
>95%
1 week  
$281.00   $197.00
- +
5mg
>95%
1 week  
$297.00   $208.00
- +
500mg
>95%
1 week  
$313.00   $219.00
- +
1g
>95%
1 week  
$411.00   $288.00
- +
5g
>95%
1 week  
$1,000.00   $700.00
- +
10g
>95%
1 week  
$1,688.00   $1,182.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00I45C
Chemical Name:
1,3(2H,4H)-Isoquinolinedione, 2-[(4-methoxyphenyl)methyl]-
CAS Number:
217493-71-5
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
MDL Number:
MFCD00974750
SMILES:
COc1ccc(cc1)CN1C(=O)Cc2c(C1=O)cccc2
Properties
Computed Properties
 
Complexity:
401  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.3  

Downstream Synthesis Route

[1]CurrentPatentAssignee:MEIJIHOLDINGSCO.,LTD-US6417362,2002,B1

217493-71-5   
C17H17NO3 

[1]Harada,Shingo;Kono,Masato;Nozaki,Tomoyuki;Menjo,Yasuhiro;Nemoto,Tetsuhiro;Hamada,Yasumasa[JournalofOrganicChemistry,2015,vol.80,#20,p.10317-10333]

217493-71-5   
C19H18ClNO3 

[1]Harada,Shingo;Kono,Masato;Nozaki,Tomoyuki;Menjo,Yasuhiro;Nemoto,Tetsuhiro;Hamada,Yasumasa[JournalofOrganicChemistry,2015,vol.80,#20,p.10317-10333]

217493-71-5   
2-2-(4-methoxybenzyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-3-ylaceticacid 

[1]Harada,Shingo;Kono,Masato;Nozaki,Tomoyuki;Menjo,Yasuhiro;Nemoto,Tetsuhiro;Hamada,Yasumasa[JournalofOrganicChemistry,2015,vol.80,#20,p.10317-10333]

217493-71-5   
3-(3-diazo-2-oxopropyl)-2-(4-methoxybenzyl)-3,4-dihydroisoquinolin-1-one 

[1]Harada,Shingo;Kono,Masato;Nozaki,Tomoyuki;Menjo,Yasuhiro;Nemoto,Tetsuhiro;Hamada,Yasumasa[JournalofOrganicChemistry,2015,vol.80,#20,p.10317-10333]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Quotation Request
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SDS
Tags:217493-71-5 Molecular Formula|217493-71-5 MDL|217493-71-5 SMILES|217493-71-5 1,3(2H,4H)-Isoquinolinedione, 2-[(4-methoxyphenyl)methyl]-
Catalog No.: AA00I45C
217493-71-5,MFCD00974750
217493-71-5 | 1,3(2H,4H)-Isoquinolinedione, 2-[(4-methoxyphenyl)methyl]-
Pack Size: 1mg
Purity: >95%
1 week
$281.00 $197.00
Pack Size: 5mg
Purity: >95%
1 week
$297.00 $208.00
Pack Size: 500mg
Purity: >95%
1 week
$313.00 $219.00
Pack Size: 1g
Purity: >95%
1 week
$411.00 $288.00
Pack Size: 5g
Purity: >95%
1 week
$1,000.00 $700.00
Pack Size: 10g
Purity: >95%
1 week
$1,688.00 $1,182.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00I45C
Chemical Name: 1,3(2H,4H)-Isoquinolinedione, 2-[(4-methoxyphenyl)methyl]-
CAS Number: 217493-71-5
Molecular Formula: C17H15NO3
Molecular Weight: 281.3059
MDL Number: MFCD00974750
SMILES: COc1ccc(cc1)CN1C(=O)Cc2c(C1=O)cccc2
Properties
Complexity: 401  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 21  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.3  
Downstream Synthesis Route
2393-23-9    703-59-3    217493-71-5 

[1]CurrentPatentAssignee:MEIJIHOLDINGSCO.,LTD-US6417362,2002,B1

217493-71-5   
C17H17NO3 

[1]Harada,Shingo;Kono,Masato;Nozaki,Tomoyuki;Menjo,Yasuhiro;Nemoto,Tetsuhiro;Hamada,Yasumasa[JournalofOrganicChemistry,2015,vol.80,#20,p.10317-10333]

217493-71-5   
C19H18ClNO3 

[1]Harada,Shingo;Kono,Masato;Nozaki,Tomoyuki;Menjo,Yasuhiro;Nemoto,Tetsuhiro;Hamada,Yasumasa[JournalofOrganicChemistry,2015,vol.80,#20,p.10317-10333]

217493-71-5   
2-2-(4-methoxybenzyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-3-ylaceticacid 

[1]Harada,Shingo;Kono,Masato;Nozaki,Tomoyuki;Menjo,Yasuhiro;Nemoto,Tetsuhiro;Hamada,Yasumasa[JournalofOrganicChemistry,2015,vol.80,#20,p.10317-10333]

217493-71-5   
3-(3-diazo-2-oxopropyl)-2-(4-methoxybenzyl)-3,4-dihydroisoquinolin-1-one 

[1]Harada,Shingo;Kono,Masato;Nozaki,Tomoyuki;Menjo,Yasuhiro;Nemoto,Tetsuhiro;Hamada,Yasumasa[JournalofOrganicChemistry,2015,vol.80,#20,p.10317-10333]

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

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