Carbacefamandole
TL;DR: Carbacefamandole (CAS 62284-44-0) is a chemical compound with molecular formula C19H20N6O5S and molecular weight 444.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: Carbacefamandole, (6S,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 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-{[(2R)-2-Hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, RefChem:123367
| Molecular Formula | C19H20N6O5S |
|---|---|
| Molecular Weight | 444.12 g/mol |
| LogP | -0.1361 |
| Topological Polar Surface Area | 150.54 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.12158 |
| Heavy Atoms | 31 |
| Complexity | 1055.0676 |
Chemical Identifiers
| CAS Number | 62284-44-0 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC2=C(N3[C@@H](CC2)[C@H](C3=O)NC(=O)[C@@H](C4=CC=CC=C4)O)C(=O)O |
Product Overview
Carbacefamandole (CAS 62284-44-0), with molecular formula C19H20N6O5S and molecular weight 444.12 g/mol. IUPAC: (6S,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of Carbacefamandole
Property Insights of Carbacefamandole
The XLogP value of -0.1361 indicates that Carbacefamandole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.54 Ų indicates high polarity, suggesting Carbacefamandole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbacefamandole has 3 hydrogen bond donor(s) and 8 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 Carbacefamandole?
The CAS number of Carbacefamandole is 62284-44-0.
What is the molecular formula of Carbacefamandole?
The molecular formula of Carbacefamandole is C19H20N6O5S.
What is the molecular weight of Carbacefamandole?
The molecular weight of Carbacefamandole is 444.12 g/mol.
Where can I buy Carbacefamandole?
You can request a quote for Carbacefamandole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbacefamandole?
Yes, KEHONG BIO provides custom synthesis services for Carbacefamandole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.