加替沙星
TL;DR: 加替沙星 (CAS 112811-59-3) is a chemical compound with molecular formula C19H22FN3O4 and molecular weight 375.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
加替沙星
1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Also Known As: Gatifloxacin, Tequin, Gatiflo, Zymar, Gatifloxacine
| Molecular Formula | C19H22FN3O4 |
|---|---|
| Molecular Weight | 375.16 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.15942 |
| Heavy Atoms | 27 |
| Complexity | 653.0 |
| Melting Point | 182-185 °C |
| Solubility | 60 |
Chemical Identifiers
| CAS Number | 112811-59-3 |
|---|---|
| SMILES | CC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F |
| InChIKey | XUBOMFCQGDBHNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
加替沙星 (CAS 112811-59-3), with molecular formula C19H22FN3O4 and molecular weight 375.16 g/mol. IUPAC: 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 加替沙星
Property Insights of 加替沙星
The XLogP value of -0.7 indicates that 加替沙星 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 加替沙星. Following Lipinski's Rule of Five, 加替沙星 has 2 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 加替沙星?
The CAS number of 加替沙星 is 112811-59-3.
What is the molecular formula of 加替沙星?
The molecular formula of 加替沙星 is C19H22FN3O4.
What is the molecular weight of 加替沙星?
The molecular weight of 加替沙星 is 375.16 g/mol.
Where can I buy 加替沙星?
You can request a quote for 加替沙星 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 加替沙星?
Yes, KEHONG BIO provides custom synthesis services for 加替沙星 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.