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40016-32-8,MFCD11870033
Catalog No.:AA01C33T

40016-32-8 | 1-[(4-methylphenyl)methyl]-1,3-diazinan-2-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$224.00   $157.00
- +
100mg
95%
3 weeks  
$277.00   $194.00
- +
250mg
95%
3 weeks  
$347.00   $243.00
- +
500mg
95%
3 weeks  
$483.00   $338.00
- +
1g
95%
3 weeks  
$586.00   $410.00
- +
2.5g
95%
3 weeks  
$829.00   $580.00
- +
5g
95%
3 weeks  
$1,240.00   $868.00
- +
10g
95%
3 weeks  
$1,804.00   $1,263.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA01C33T
Chemical Name:
1-[(4-methylphenyl)methyl]-1,3-diazinan-2-one
CAS Number:
40016-32-8
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
MDL Number:
MFCD11870033
SMILES:
O=C1NCCCN1Cc1ccc(cc1)C
Properties
Computed Properties
 
Complexity:
222  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.5  

Downstream Synthesis Route

[1]Ellis;Schwan;Wessels;Miles[JournalofPharmaceuticalSciences,1980,vol.69,#10,p.1194-1198]

[1]Locationinpatent:experimentalpartThanigaimalai;Lee,Ki-Cheul;Bang,Seong-Cheol;Lee,Jee-Hyun;Yun,Cheong-Yong;Roh,Eunmiri;Hwang,Bang-Yeon;Kim,Youngsoo;Jung,Sang-Hun[BioorganicandMedicinalChemistry,2010,vol.18,#3,p.1135-1142]

[1]Locationinpatent:experimentalpartThanigaimalai;Lee,Ki-Cheul;Bang,Seong-Cheol;Lee,Jee-Hyun;Yun,Cheong-Yong;Roh,Eunmiri;Hwang,Bang-Yeon;Kim,Youngsoo;Jung,Sang-Hun[BioorganicandMedicinalChemistry,2010,vol.18,#3,p.1135-1142]

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: Inhibitory effect of novel tetrahydropyrimidine-2(1H)-thiones on melanogenesis.

Journal: Bioorganic & medicinal chemistry 20100201

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

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SDS
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Tags:40016-32-8 Molecular Formula|40016-32-8 MDL|40016-32-8 SMILES|40016-32-8 1-[(4-methylphenyl)methyl]-1,3-diazinan-2-one