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935269-27-5,MFCD25965985
Catalog No.:AA00H2ZN

935269-27-5 | 3-Oxoisoindoline-4-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$63.00   $44.00
- +
250mg
97%
in stock  
$102.00   $72.00
- +
500mg
95%
in stock  
$181.00   $127.00
- +
1g
95%
in stock  
$339.00   $237.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00H2ZN
Chemical Name:
3-Oxoisoindoline-4-carboxylic acid
CAS Number:
935269-27-5
Molecular Formula:
C9H5NO3
Molecular Weight:
175.1409
MDL Number:
MFCD25965985
SMILES:
OC(=O)c1cccc2c1C(=O)N=C2
Properties
Properties
 
Form:
Solid  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
251  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.3  

Upstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,2008,vol.18,#18,p.5130-5133

[1]Patent:WO2007/47646,2007,A2,.Locationinpatent:Page/Pagecolumn69

Downstream Synthesis Route

[1]Patent:WO2007/47646,2007,A2.Locationinpatent:Page/Pagecolumn69-70

[2]BioorganicandMedicinalChemistryLetters,2008,vol.18,p.5130-5133

935269-27-5    102-51-2   
7-(5-methoxy-1H-benzoimidazol-2-yl)-2,3-dihydro-isoindol-1-one 

[1]Patent:WO2007/47646,2007,A2.Locationinpatent:Page/Pagecolumn69

[1]Patent:WO2007/47646,2007,A2.Locationinpatent:Page/Pagecolumn69

[1]BioorganicandMedicinalChemistryLetters,2008,vol.18,p.5130-5133

935269-27-5   
tert-butyl-(4-amino-4-(1-ethylbenzodimidazol-2-yl)butyl)carbamate-L-ornithine 
 
C27H33N5O4 

[1]JournalofMedicinalChemistry,2017,vol.60,p.3198-3211

Literature
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SDS
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Tags:935269-27-5 Molecular Formula|935269-27-5 MDL|935269-27-5 SMILES|935269-27-5 3-Oxoisoindoline-4-carboxylic acid
Catalog No.: AA00H2ZN
935269-27-5,MFCD25965985
935269-27-5 | 3-Oxoisoindoline-4-carboxylic acid
Pack Size： 100mg
Purity： 97%
in stock
$63.00 $44.00
Pack Size： 250mg
Purity： 97%
in stock
$102.00 $72.00
Pack Size： 500mg
Purity： 95%
in stock
$181.00 $127.00
Pack Size： 1g
Purity： 95%
in stock
$339.00 $237.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00H2ZN
Chemical Name: 3-Oxoisoindoline-4-carboxylic acid
CAS Number: 935269-27-5
Molecular Formula: C9H5NO3
Molecular Weight: 175.1409
MDL Number: MFCD25965985
SMILES: OC(=O)c1cccc2c1C(=O)N=C2
Properties
Form: Solid  
Storage: Keep in dry area;Room Temperature;  
Complexity: 251  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.3  
Upstream Synthesis Route
935269-25-3    935269-27-5 

[1]BioorganicandMedicinalChemistryLetters,2008,vol.18,#18,p.5130-5133

935269-26-4    935269-27-5 

[1]Patent:WO2007/47646,2007,A2,.Locationinpatent:Page/Pagecolumn69

Downstream Synthesis Route
935269-27-5    104-94-9    935269-28-6 

[1]Patent:WO2007/47646,2007,A2.Locationinpatent:Page/Pagecolumn69-70

[2]BioorganicandMedicinalChemistryLetters,2008,vol.18,p.5130-5133

935269-27-5    102-51-2   
7-(5-methoxy-1H-benzoimidazol-2-yl)-2,3-dihydro-isoindol-1-one 

[1]Patent:WO2007/47646,2007,A2.Locationinpatent:Page/Pagecolumn69

935269-26-4    935269-27-5 

[1]Patent:WO2007/47646,2007,A2.Locationinpatent:Page/Pagecolumn69

935269-25-3    935269-27-5 

[1]BioorganicandMedicinalChemistryLetters,2008,vol.18,p.5130-5133

935269-27-5   
tert-butyl-(4-amino-4-(1-ethylbenzodimidazol-2-yl)butyl)carbamate-L-ornithine 
 
C27H33N5O4 

[1]JournalofMedicinalChemistry,2017,vol.60,p.3198-3211

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