Sitafloxacin monohydrate
TL;DR: Sitafloxacin monohydrate (CAS 163253-35-8) is a chemical compound with molecular formula C19H20ClF2N3O4 and molecular weight 427.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid;hydrate
Also Known As: Sitafloxacin hydrate, Sitafloxacin, Sitafloxacin monohydrate, sitafloxacine, sitafloxacino
| Molecular Formula | C19H20ClF2N3O4 |
|---|---|
| Molecular Weight | 427.11 g/mol |
| LogP | 1.8779 |
| Topological Polar Surface Area | 120.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.11105 |
| Heavy Atoms | 29 |
| Complexity | 1101.2764 |
Chemical Identifiers
| CAS Number | 163253-35-8 |
|---|---|
| SMILES | C1CC12CN(C[C@H]2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)[C@@H]5C[C@@H]5F)F.O |
Product Overview
Sitafloxacin monohydrate (CAS 163253-35-8), with molecular formula C19H20ClF2N3O4 and molecular weight 427.11 g/mol. IUPAC: 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid;hydrate.
Chemical Property Profile of Sitafloxacin monohydrate
Property Insights of Sitafloxacin monohydrate
The XLogP value of 1.8779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sitafloxacin monohydrate. The TPSA of 120.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Sitafloxacin monohydrate. Following Lipinski's Rule of Five, Sitafloxacin monohydrate has 2 hydrogen bond donor(s) and 4 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 Sitafloxacin monohydrate?
The CAS number of Sitafloxacin monohydrate is 163253-35-8.
What is the molecular formula of Sitafloxacin monohydrate?
The molecular formula of Sitafloxacin monohydrate is C19H20ClF2N3O4.
What is the molecular weight of Sitafloxacin monohydrate?
The molecular weight of Sitafloxacin monohydrate is 427.11 g/mol.
Where can I buy Sitafloxacin monohydrate?
You can request a quote for Sitafloxacin monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sitafloxacin monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Sitafloxacin monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.