Kedacillin
TL;DR: Kedacillin (CAS 2890-83-7) is a chemical compound with molecular formula C16H16N2Na2O7S2 and molecular weight 458.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfonatoacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: Kedacillin, Sulbenicillin, Lilacillin, Sulfocillin, Sulpelin
| Molecular Formula | C16H16N2Na2O7S2 |
|---|---|
| Molecular Weight | 458.02 g/mol |
| LogP | -7.4221 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.01944 |
| Heavy Atoms | 29 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 2890-83-7 |
|---|---|
| SMILES | CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)[O-])C.[Na+].[Na+] |
| InChIKey | FWRNIJIOFYDBES-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Kedacillin (CAS 2890-83-7), with molecular formula C16H16N2Na2O7S2 and molecular weight 458.02 g/mol. IUPAC: disodium;3,3-dimethyl-7-oxo-6-[(2-phenyl-2-sulfonatoacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Chemical Property Profile of Kedacillin
Property Insights of Kedacillin
The XLogP value of -7.4221 indicates that Kedacillin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 180.0 Ų indicates high polarity, suggesting Kedacillin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kedacillin has 1 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 Kedacillin?
The CAS number of Kedacillin is 2890-83-7.
What is the molecular formula of Kedacillin?
The molecular formula of Kedacillin is C16H16N2Na2O7S2.
What is the molecular weight of Kedacillin?
The molecular weight of Kedacillin is 458.02 g/mol.
Where can I buy Kedacillin?
You can request a quote for Kedacillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kedacillin?
Yes, KEHONG BIO provides custom synthesis services for Kedacillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.