Ibafloxacin
TL;DR: Ibafloxacin (CAS 91618-36-9) is a chemical compound with molecular formula C15H14FNO3 and molecular weight 275.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-fluoro-8,12-dimethyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
Also Known As: Ibafloxacine, Ibafloxacin, Ibafloxacino, Ibaflin, Ibafloxacinum
| Molecular Formula | C15H14FNO3 |
|---|---|
| Molecular Weight | 275.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.09576 |
| Heavy Atoms | 20 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 91618-36-9 |
|---|---|
| SMILES | CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2C)F)C(=O)O |
| InChIKey | DXKRGNXUIRKXNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ibafloxacin (CAS 91618-36-9), with molecular formula C15H14FNO3 and molecular weight 275.10 g/mol. IUPAC: 7-fluoro-8,12-dimethyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid.
Chemical Property Profile of Ibafloxacin
Property Insights of Ibafloxacin
The XLogP value of 3.3 indicates that Ibafloxacin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, Ibafloxacin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ibafloxacin has 1 hydrogen bond donor(s) and 5 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 Ibafloxacin?
The CAS number of Ibafloxacin is 91618-36-9.
What is the molecular formula of Ibafloxacin?
The molecular formula of Ibafloxacin is C15H14FNO3.
What is the molecular weight of Ibafloxacin?
The molecular weight of Ibafloxacin is 275.10 g/mol.
Where can I buy Ibafloxacin?
You can request a quote for Ibafloxacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ibafloxacin?
Yes, KEHONG BIO provides custom synthesis services for Ibafloxacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.