头孢美唑
TL;DR: 头孢美唑 (CAS 56796-20-4) is a chemical compound with molecular formula C15H17N7O5S3 and molecular weight 471.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
头孢美唑
7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: cefmetazole, (6R,7S)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1h-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C15H17N7O5S3 |
|---|---|
| Molecular Weight | 471.05 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 239.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 471.04532 |
| Heavy Atoms | 30 |
| Complexity | 818.0 |
Chemical Identifiers
| CAS Number | 56796-20-4 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)O |
| InChIKey | SNBUBQHDYVFSQF-UHFFFAOYSA-N |
Product Overview
头孢美唑 (CAS 56796-20-4), with molecular formula C15H17N7O5S3 and molecular weight 471.05 g/mol. IUPAC: 7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 头孢美唑
Property Insights of 头孢美唑
The XLogP value of -0.6 indicates that 头孢美唑 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 239.0 Ų indicates high polarity, suggesting 头孢美唑 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 头孢美唑 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 头孢美唑?
The CAS number of 头孢美唑 is 56796-20-4.
What is the molecular formula of 头孢美唑?
The molecular formula of 头孢美唑 is C15H17N7O5S3.
What is the molecular weight of 头孢美唑?
The molecular weight of 头孢美唑 is 471.05 g/mol.
Where can I buy 头孢美唑?
You can request a quote for 头孢美唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 头孢美唑?
Yes, KEHONG BIO provides custom synthesis services for 头孢美唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.