达氟沙星
TL;DR: 达氟沙星 (CAS 112398-08-0) is a chemical compound with molecular formula C19H20FN3O3 and molecular weight 357.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
达氟沙星
1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid
Also Known As: Danofloxacin, Danofloxacine, Danofloxacino, Danofloxacinum, Advocin
| Molecular Formula | C19H20FN3O3 |
|---|---|
| Molecular Weight | 357.15 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.14886 |
| Heavy Atoms | 26 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 112398-08-0 |
|---|---|
| SMILES | CN1C[C@@H]2C[C@H]1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F |
| InChIKey | QMLVECGLEOSESV-RYUDHWBXSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
达氟沙星 (CAS 112398-08-0), with molecular formula C19H20FN3O3 and molecular weight 357.15 g/mol. IUPAC: 1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 达氟沙星
Property Insights of 达氟沙星
The XLogP value of -0.3 indicates that 达氟沙星 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 达氟沙星. Following Lipinski's Rule of Five, 达氟沙星 has 1 hydrogen bond donor(s) and 7 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 达氟沙星?
The CAS number of 达氟沙星 is 112398-08-0.
What is the molecular formula of 达氟沙星?
The molecular formula of 达氟沙星 is C19H20FN3O3.
What is the molecular weight of 达氟沙星?
The molecular weight of 达氟沙星 is 357.15 g/mol.
Where can I buy 达氟沙星?
You can request a quote for 达氟沙星 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 达氟沙星?
Yes, KEHONG BIO provides custom synthesis services for 达氟沙星 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.