Trovafloxacin mesylate
TL;DR: Trovafloxacin mesylate (CAS 147059-75-4) is a chemical compound with molecular formula C21H19F3N4O6S and molecular weight 512.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acid
Also Known As: Trovafloxacin mesylate, Trovan, Trovafloxacin mesilate, Trovafloxacin, Turvel
| Molecular Formula | C21H19F3N4O6S |
|---|---|
| Molecular Weight | 512.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 3 |
| Exact Mass | 512.0977 |
| Heavy Atoms | 35 |
| Complexity | 863.0 |
Chemical Identifiers
| CAS Number | 147059-75-4 |
|---|---|
| SMILES | CS(=O)(=O)O.C1[C@@H]2[C@@H](C2N)CN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F |
| InChIKey | DYNZICQDCVYXFW-GIPYJWDTSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trovafloxacin mesylate (CAS 147059-75-4), with molecular formula C21H19F3N4O6S and molecular weight 512.10 g/mol. IUPAC: 7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acid.
Chemical Property Profile of Trovafloxacin mesylate
Property Insights of Trovafloxacin mesylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trovafloxacin mesylate. The TPSA of 163.0 Ų indicates high polarity, suggesting Trovafloxacin mesylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trovafloxacin mesylate has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trovafloxacin mesylate?
The CAS number of Trovafloxacin mesylate is 147059-75-4.
What is the molecular formula of Trovafloxacin mesylate?
The molecular formula of Trovafloxacin mesylate is C21H19F3N4O6S.
What is the molecular weight of Trovafloxacin mesylate?
The molecular weight of Trovafloxacin mesylate is 512.10 g/mol.
Where can I buy Trovafloxacin mesylate?
You can request a quote for Trovafloxacin mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trovafloxacin mesylate?
Yes, KEHONG BIO provides custom synthesis services for Trovafloxacin mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.