Vebufloxacin
TL;DR: Vebufloxacin (CAS 79644-90-9) is a chemical compound with molecular formula C19H22FN3O3 and molecular weight 359.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-fluoro-12-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
Also Known As: Vebufloxacin, vebufloxacine, vebufloxacino, Benofloxacin, vebufloxacinum
| Molecular Formula | C19H22FN3O3 |
|---|---|
| Molecular Weight | 359.16 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.16452 |
| Heavy Atoms | 26 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 79644-90-9 |
|---|---|
| SMILES | CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O |
| InChIKey | JATLJHBAMQKRDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vebufloxacin (CAS 79644-90-9), with molecular formula C19H22FN3O3 and molecular weight 359.16 g/mol. IUPAC: 7-fluoro-12-methyl-8-(4-methylpiperazin-1-yl)-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid.
Chemical Property Profile of Vebufloxacin
Property Insights of Vebufloxacin
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vebufloxacin. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Vebufloxacin. Following Lipinski's Rule of Five, Vebufloxacin 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 Vebufloxacin?
The CAS number of Vebufloxacin is 79644-90-9.
What is the molecular formula of Vebufloxacin?
The molecular formula of Vebufloxacin is C19H22FN3O3.
What is the molecular weight of Vebufloxacin?
The molecular weight of Vebufloxacin is 359.16 g/mol.
Where can I buy Vebufloxacin?
You can request a quote for Vebufloxacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vebufloxacin?
Yes, KEHONG BIO provides custom synthesis services for Vebufloxacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.