Orbifloxacin
TL;DR: Orbifloxacin (CAS 113617-63-3) is a chemical compound with molecular formula C19H20F3N3O3 and molecular weight 395.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: ORBIFLOXACIN, Orbax, orbifloxacine, orbifloxacino, orbifloxacinum
| Molecular Formula | C19H20F3N3O3 |
|---|---|
| Molecular Weight | 395.15 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.1457 |
| Heavy Atoms | 28 |
| Complexity | 691.0 |
Chemical Identifiers
| CAS Number | 113617-63-3 |
|---|---|
| SMILES | C[C@@H]1CN(C[C@@H](N1)C)C2=C(C3=C(C(=C2F)F)C(=O)C(=CN3C4CC4)C(=O)O)F |
| InChIKey | QIPQASLPWJVQMH-DTORHVGOSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Orbifloxacin (CAS 113617-63-3), with molecular formula C19H20F3N3O3 and molecular weight 395.15 g/mol. IUPAC: 1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of Orbifloxacin
Property Insights of Orbifloxacin
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Orbifloxacin. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Orbifloxacin. Following Lipinski's Rule of Five, Orbifloxacin has 2 hydrogen bond donor(s) and 9 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 Orbifloxacin?
The CAS number of Orbifloxacin is 113617-63-3.
What is the molecular formula of Orbifloxacin?
The molecular formula of Orbifloxacin is C19H20F3N3O3.
What is the molecular weight of Orbifloxacin?
The molecular weight of Orbifloxacin is 395.15 g/mol.
Where can I buy Orbifloxacin?
You can request a quote for Orbifloxacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Orbifloxacin?
Yes, KEHONG BIO provides custom synthesis services for Orbifloxacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.