Alatrofloxacin mesylate
TL;DR: Alatrofloxacin mesylate (CAS 146961-76-4) is a chemical compound with molecular formula C27H29F3N6O8S and molecular weight 654.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(1R,5S)-6-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]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: Alatrofloxacin mesylate, Alatrofloxacin, Trovan IV, Trovan, Trovan-IV
| Molecular Formula | C27H29F3N6O8S |
|---|---|
| Molecular Weight | 654.17 g/mol |
| LogP | 0.4079 |
| Topological Polar Surface Area | 214.02 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 654.172 |
| Heavy Atoms | 45 |
| Complexity | 1849.162 |
Chemical Identifiers
| CAS Number | 146961-76-4 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](C)C(=O)NC1[C@H]2[C@@H]1CN(C2)C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F)N.CS(=O)(=O)O |
Product Overview
Alatrofloxacin mesylate (CAS 146961-76-4), with molecular formula C27H29F3N6O8S and molecular weight 654.17 g/mol. IUPAC: 7-[(1R,5S)-6-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]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 Alatrofloxacin mesylate
Property Insights of Alatrofloxacin mesylate
The XLogP value of 0.4079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alatrofloxacin mesylate. The TPSA of 214.02 Ų indicates high polarity, suggesting Alatrofloxacin mesylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Alatrofloxacin mesylate has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Alatrofloxacin mesylate?
The CAS number of Alatrofloxacin mesylate is 146961-76-4.
What is the molecular formula of Alatrofloxacin mesylate?
The molecular formula of Alatrofloxacin mesylate is C27H29F3N6O8S.
What is the molecular weight of Alatrofloxacin mesylate?
The molecular weight of Alatrofloxacin mesylate is 654.17 g/mol.
Where can I buy Alatrofloxacin mesylate?
You can request a quote for Alatrofloxacin mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alatrofloxacin mesylate?
Yes, KEHONG BIO provides custom synthesis services for Alatrofloxacin mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.