Demethoxycefmetazole
TL;DR: Demethoxycefmetazole (CAS 55817-36-2) is a chemical compound with molecular formula C14H15N7O4S3 and molecular weight 441.03 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-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Demethoxycefmetazole, (6R)-7alpha-[2-(Cyanomethylthio)acetylamino]-3-(1-methyl-1H-tetrazole-5-ylthiomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid, (6R,7R)-7-(2-((CYANOMETHYL)THIO)ACETAMIDO)-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID, (6R,7R)-7-{2-[(cyanomethyl)sulfanyl]acetamido}-3-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-{2-[(Cyanomethyl)sulfanyl]acetamido}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C14H15N7O4S3 |
|---|---|
| Molecular Weight | 441.03 g/mol |
| LogP | -0.70242 |
| Topological Polar Surface Area | 154.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 441.03476 |
| Heavy Atoms | 28 |
| Complexity | 880.5311 |
Chemical Identifiers
| CAS Number | 55817-36-2 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CSCC#N)SC2)C(=O)O |
Product Overview
Demethoxycefmetazole (CAS 55817-36-2), with molecular formula C14H15N7O4S3 and molecular weight 441.03 g/mol. IUPAC: (6R,7R)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-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 Demethoxycefmetazole
Property Insights of Demethoxycefmetazole
The XLogP value of -0.70242 indicates that Demethoxycefmetazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.1 Ų indicates high polarity, suggesting Demethoxycefmetazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Demethoxycefmetazole has 2 hydrogen bond donor(s) and 10 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 Demethoxycefmetazole?
The CAS number of Demethoxycefmetazole is 55817-36-2.
What is the molecular formula of Demethoxycefmetazole?
The molecular formula of Demethoxycefmetazole is C14H15N7O4S3.
What is the molecular weight of Demethoxycefmetazole?
The molecular weight of Demethoxycefmetazole is 441.03 g/mol.
Where can I buy Demethoxycefmetazole?
You can request a quote for Demethoxycefmetazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethoxycefmetazole?
Yes, KEHONG BIO provides custom synthesis services for Demethoxycefmetazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.