1-Carbacephalothin
TL;DR: 1-Carbacephalothin (CAS 63357-47-1) is a chemical compound with molecular formula C17H18N2O6S and molecular weight 378.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7S)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 1-Carbacephalothin, (6R,7S)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7S)-3-[(acetyloxy)methyl]-8-oxo-7-[2-(thiophen-2-yl)acetamido]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 1-Azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-8-oxo-7-((2-thienylacetyl)amino)-, (6R-trans)-, (6R,7S)-3-(Acetoxymethyl)-8-oxo-7-[[(2-thienyl)acetyl]amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
| Molecular Formula | C17H18N2O6S |
|---|---|
| Molecular Weight | 378.09 g/mol |
| LogP | 0.6818 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.08856 |
| Heavy Atoms | 26 |
| Complexity | 785.1836 |
Chemical Identifiers
| CAS Number | 63357-47-1 |
|---|---|
| SMILES | CC(=O)OCC1=C(N2[C@H](CC1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)O |
Product Overview
1-Carbacephalothin (CAS 63357-47-1), with molecular formula C17H18N2O6S and molecular weight 378.09 g/mol. IUPAC: (6R,7S)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 1-Carbacephalothin
Property Insights of 1-Carbacephalothin
The XLogP value of 0.6818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Carbacephalothin. The TPSA of 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Carbacephalothin. Following Lipinski's Rule of Five, 1-Carbacephalothin 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 1-Carbacephalothin?
The CAS number of 1-Carbacephalothin is 63357-47-1.
What is the molecular formula of 1-Carbacephalothin?
The molecular formula of 1-Carbacephalothin is C17H18N2O6S.
What is the molecular weight of 1-Carbacephalothin?
The molecular weight of 1-Carbacephalothin is 378.09 g/mol.
Where can I buy 1-Carbacephalothin?
You can request a quote for 1-Carbacephalothin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Carbacephalothin?
Yes, KEHONG BIO provides custom synthesis services for 1-Carbacephalothin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.