Danofloxacin Mesylate
TL;DR: Danofloxacin Mesylate (CAS 119478-55-6) is a chemical compound with molecular formula C20H24FN3O6S and molecular weight 453.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid
Also Known As: Danofloxacin mesylate, Advocid, Advocin, DANOFLOXACIN MESILATE, Danofloxacin (mesylate)
| Molecular Formula | C20H24FN3O6S |
|---|---|
| Molecular Weight | 453.14 g/mol |
| LogP | 1.57 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 453.137 |
| Heavy Atoms | 31 |
| Complexity | 771.0 |
Chemical Identifiers
| CAS Number | 119478-55-6 |
|---|---|
| SMILES | CN1C[C@@H]2C[C@H]1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F.CS(=O)(=O)O |
| InChIKey | APFDJSVKQNSTKF-FXMYHANSSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Danofloxacin Mesylate (CAS 119478-55-6), with molecular formula C20H24FN3O6S and molecular weight 453.14 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;methanesulfonic acid.
Chemical Property Profile of Danofloxacin Mesylate
Property Insights of Danofloxacin Mesylate
The XLogP value of 1.57 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Danofloxacin Mesylate. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Danofloxacin Mesylate. Following Lipinski's Rule of Five, Danofloxacin Mesylate has 2 hydrogen bond donor(s) and 10 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 Danofloxacin Mesylate?
The CAS number of Danofloxacin Mesylate is 119478-55-6.
What is the molecular formula of Danofloxacin Mesylate?
The molecular formula of Danofloxacin Mesylate is C20H24FN3O6S.
What is the molecular weight of Danofloxacin Mesylate?
The molecular weight of Danofloxacin Mesylate is 453.14 g/mol.
Where can I buy Danofloxacin Mesylate?
You can request a quote for Danofloxacin Mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Danofloxacin Mesylate?
Yes, KEHONG BIO provides custom synthesis services for Danofloxacin Mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.