3-Chloro-1-carbacephem
TL;DR: 3-Chloro-1-carbacephem (CAS 8065-16-5) is a chemical compound with molecular formula C8H9ClN2O3 and molecular weight 216.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R,7S)-7-amino-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: 3-Chloro-1-carbacephem, (6r,7s)-7-amino-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-Amino-3-chloro-8-oxo-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid (6R-trans)-, (6R)-3-Chloro-7alpha-amino-8-oxo-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid, (6R,7S)7-amino-3-chloro-1-azabicyclo[4,2,0]oct-2en-8-one-2-carboxylic acid
| Molecular Formula | C8H9ClN2O3 |
|---|---|
| Molecular Weight | 216.03 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.03017 |
| Heavy Atoms | 14 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 8065-16-5 |
|---|---|
| SMILES | C1CC(=C(N2[C@H]1[C@@H](C2=O)N)C(=O)O)Cl |
| InChIKey | QNXHTHMVKRGOSJ-UHNVWZDZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-1-carbacephem (CAS 8065-16-5), with molecular formula C8H9ClN2O3 and molecular weight 216.03 g/mol. IUPAC: (6R,7S)-7-amino-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.
Chemical Property Profile of 3-Chloro-1-carbacephem
Property Insights of 3-Chloro-1-carbacephem
The XLogP value of -2.7 indicates that 3-Chloro-1-carbacephem is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-1-carbacephem. Following Lipinski's Rule of Five, 3-Chloro-1-carbacephem has 2 hydrogen bond donor(s) and 4 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 3-Chloro-1-carbacephem?
The CAS number of 3-Chloro-1-carbacephem is 8065-16-5.
What is the molecular formula of 3-Chloro-1-carbacephem?
The molecular formula of 3-Chloro-1-carbacephem is C8H9ClN2O3.
What is the molecular weight of 3-Chloro-1-carbacephem?
The molecular weight of 3-Chloro-1-carbacephem is 216.03 g/mol.
Where can I buy 3-Chloro-1-carbacephem?
You can request a quote for 3-Chloro-1-carbacephem directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1-carbacephem?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1-carbacephem and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.