Oxacefamandole
TL;DR: Oxacefamandole (CAS 62504-53-4) is a chemical compound with molecular formula C18H18N6O6S and molecular weight 446.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,7R)-7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Oxacefamandole, (6S,7R)-7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 5-Oxa-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((hydroxyphenylacetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6alpha,7beta(R*))-(+-)-, (6S,7R)-7-[(1,2-Dihydroxy-2-phenylethylidene)amino]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(1,2-Dihydroxy-2-phenylethylidene)amino]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C18H18N6O6S |
|---|---|
| Molecular Weight | 446.10 g/mol |
| LogP | -0.9422 |
| Topological Polar Surface Area | 159.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.10086 |
| Heavy Atoms | 31 |
| Complexity | 1056.8195 |
Chemical Identifiers
| CAS Number | 62504-53-4 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC2=C(N3[C@H]([C@H](C3=O)NC(=O)C(C4=CC=CC=C4)O)OC2)C(=O)O |
Product Overview
Oxacefamandole (CAS 62504-53-4), with molecular formula C18H18N6O6S and molecular weight 446.10 g/mol. IUPAC: (6S,7R)-7-[(2-hydroxy-2-phenylacetyl)amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Oxacefamandole
Property Insights of Oxacefamandole
The XLogP value of -0.9422 indicates that Oxacefamandole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.77 Ų indicates high polarity, suggesting Oxacefamandole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oxacefamandole has 3 hydrogen bond donor(s) and 9 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 Oxacefamandole?
The CAS number of Oxacefamandole is 62504-53-4.
What is the molecular formula of Oxacefamandole?
The molecular formula of Oxacefamandole is C18H18N6O6S.
What is the molecular weight of Oxacefamandole?
The molecular weight of Oxacefamandole is 446.10 g/mol.
Where can I buy Oxacefamandole?
You can request a quote for Oxacefamandole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxacefamandole?
Yes, KEHONG BIO provides custom synthesis services for Oxacefamandole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.