Quinacillin
TL;DR: Quinacillin (CAS 1596-63-0) is a chemical compound with molecular formula C18H16N4O6S and molecular weight 416.07904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,5R,6R)-6-[(3-carboxyquinoxaline-2-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: Quinacillin, Quinacilina, Quinacilline, Quinacillinum, Quinacillin [INN:BAN]
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H16N4O6S |
| Molecular Weight | 416.07904 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 175.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.07904 Da |
| Heavy Atoms | 29 |
| Complexity | 761.0 |
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=NC4=CC=CC=C4N=C3C(=O)O)C(=O)O)C |
| InChIKey | GPMSLJIYNWBYEL-TYNCELHUSA-N |
Chemical Property Profile of Quinacillin
Property Insights of Quinacillin
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinacillin. The TPSA of 175.0 Ų indicates high polarity, suggesting Quinacillin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quinacillin has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Quinacillin?
The CAS number of Quinacillin is 1596-63-0.
What is the molecular formula of Quinacillin?
The molecular formula of Quinacillin is C18H16N4O6S.
What is the molecular weight of Quinacillin?
The molecular weight of Quinacillin is 416.07904 g/mol.
Where can I buy Quinacillin?
You can request a quote for Quinacillin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Quinacillin?
Yes, CoreyChem provides custom synthesis services for Quinacillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.