Cyanocef
TL;DR: Cyanocef (CAS 53726-29-7) is a chemical compound with molecular formula C12H13N3O4S2 and molecular weight 327.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7R)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Cyanocef, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-carboxylic acid, 7-((((cyanomethyl)thio)acetyl)amino)-3-methyl-8-oxo-, (6R-trans)-, (6R,7R)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-{2-[(Cyanomethyl)sulfanyl]acetamido}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C12H13N3O4S2 |
|---|---|
| Molecular Weight | 327.03 g/mol |
| LogP | 0.00168 |
| Topological Polar Surface Area | 110.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.03476 |
| Heavy Atoms | 21 |
| Complexity | 569.3401 |
Chemical Identifiers
| CAS Number | 53726-29-7 |
|---|---|
| SMILES | CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSCC#N)SC1)C(=O)O |
Product Overview
Cyanocef (CAS 53726-29-7), with molecular formula C12H13N3O4S2 and molecular weight 327.03 g/mol. IUPAC: (6R,7R)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Cyanocef
Property Insights of Cyanocef
The XLogP value of 0.00168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanocef. The TPSA of 110.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanocef. Following Lipinski's Rule of Five, Cyanocef has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyanocef?
The CAS number of Cyanocef is 53726-29-7.
What is the molecular formula of Cyanocef?
The molecular formula of Cyanocef is C12H13N3O4S2.
What is the molecular weight of Cyanocef?
The molecular weight of Cyanocef is 327.03 g/mol.
Where can I buy Cyanocef?
You can request a quote for Cyanocef directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanocef?
Yes, KEHONG BIO provides custom synthesis services for Cyanocef and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.