Quinacillin sodium
TL;DR: Quinacillin sodium (CAS 6241-03-8) is a chemical compound with molecular formula C18H14N4Na2O6S and molecular weight 460.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;(5R,6R)-6-[(3-carboxylatoquinoxaline-2-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Also Known As: Quinacillin sodium, Disodium quinacillin, Quinacillin disodium salt, RD 13962, 3-Carboxy-2-quinoxalinylpenicillin disodium salt
| Molecular Formula | C18H14N4Na2O6S |
|---|---|
| Molecular Weight | 460.04 g/mol |
| LogP | -8.09 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 460.04294 |
| Heavy Atoms | 31 |
| Complexity | 750.0 |
Chemical Identifiers
| CAS Number | 6241-03-8 |
|---|---|
| SMILES | CC1(C(N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=NC4=CC=CC=C4N=C3C(=O)[O-])C(=O)[O-])C.[Na+].[Na+] |
| InChIKey | WFAXHOKRRRZBNN-RNLRGTIRSA-L |
Product Overview
Quinacillin sodium (CAS 6241-03-8), with molecular formula C18H14N4Na2O6S and molecular weight 460.04 g/mol. IUPAC: disodium;(5R,6R)-6-[(3-carboxylatoquinoxaline-2-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.
Chemical Property Profile of Quinacillin sodium
Property Insights of Quinacillin sodium
The XLogP value of -8.09 indicates that Quinacillin sodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.0 Ų indicates high polarity, suggesting Quinacillin sodium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quinacillin sodium has 1 hydrogen bond donor(s) and 9 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 Quinacillin sodium?
The CAS number of Quinacillin sodium is 6241-03-8.
What is the molecular formula of Quinacillin sodium?
The molecular formula of Quinacillin sodium is C18H14N4Na2O6S.
What is the molecular weight of Quinacillin sodium?
The molecular weight of Quinacillin sodium is 460.04 g/mol.
Where can I buy Quinacillin sodium?
You can request a quote for Quinacillin sodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinacillin sodium?
Yes, KEHONG BIO provides custom synthesis services for Quinacillin sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.