羧苄西林
TL;DR: 羧苄西林 (CAS 4697-36-3) 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.
羧苄西林
6-[(2-carboxy-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: carbenicillin, Famprofazone, Sodium carbenicillin, Carbenicillin disodium, Carbenicillin (disodium)
| Molecular Formula | C17H18N2O6S |
|---|---|
| Molecular Weight | 378.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.08856 |
| Heavy Atoms | 26 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 4697-36-3 |
|---|---|
| SMILES | CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C |
| InChIKey | FPPNZSSZRUTDAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
羧苄西林 (CAS 4697-36-3), with molecular formula C17H18N2O6S and molecular weight 378.09 g/mol. IUPAC: 6-[(2-carboxy-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 羧苄西林
Property Insights of 羧苄西林
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 羧苄西林. The TPSA of 149.0 Ų indicates high polarity, suggesting 羧苄西林 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 羧苄西林 has 3 hydrogen bond donor(s) and 7 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 羧苄西林?
The CAS number of 羧苄西林 is 4697-36-3.
What is the molecular formula of 羧苄西林?
The molecular formula of 羧苄西林 is C17H18N2O6S.
What is the molecular weight of 羧苄西林?
The molecular weight of 羧苄西林 is 378.09 g/mol.
Where can I buy 羧苄西林?
You can request a quote for 羧苄西林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 羧苄西林?
Yes, KEHONG BIO provides custom synthesis services for 羧苄西林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.