二氟沙星
TL;DR: 二氟沙星 (CAS 98106-17-3) is a chemical compound with molecular formula C21H19F2N3O3 and molecular weight 399.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氟沙星
6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Also Known As: Difloxacin, Dicural, Difloxacine, Difloxacino, Pulsaflox
| Molecular Formula | C21H19F2N3O3 |
|---|---|
| Molecular Weight | 399.14 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.13943 |
| Heavy Atoms | 29 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 98106-17-3 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F |
| InChIKey | NOCJXYPHIIZEHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氟沙星 (CAS 98106-17-3), with molecular formula C21H19F2N3O3 and molecular weight 399.14 g/mol. IUPAC: 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 二氟沙星
Property Insights of 二氟沙星
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二氟沙星. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 二氟沙星. Following Lipinski's Rule of Five, 二氟沙星 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 二氟沙星?
The CAS number of 二氟沙星 is 98106-17-3.
What is the molecular formula of 二氟沙星?
The molecular formula of 二氟沙星 is C21H19F2N3O3.
What is the molecular weight of 二氟沙星?
The molecular weight of 二氟沙星 is 399.14 g/mol.
Where can I buy 二氟沙星?
You can request a quote for 二氟沙星 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氟沙星?
Yes, KEHONG BIO provides custom synthesis services for 二氟沙星 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.