Sitafloxacin
TL;DR: Sitafloxacin (CAS 2128355-65-5) is a chemical compound with molecular formula C19H18ClF2N3O3 and molecular weight 409.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-4-oxoquinoline-3-carboxylic acid
Also Known As: Sitafloxacin, Sitafloxacin hydrate, DU6859a hydrate, Sitafloxacin (hydrate), Sitafloxacin Sesquihydrate
| Molecular Formula | C19H18ClF2N3O3 |
|---|---|
| Molecular Weight | 409.10 g/mol |
| LogP | 2.7026 |
| Topological Polar Surface Area | 88.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.10046 |
| Heavy Atoms | 28 |
| Complexity | 1098.246 |
Chemical Identifiers
| CAS Number | 2128355-65-5 |
|---|---|
| SMILES | C1CC12CN(CC2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5F)F |
Product Overview
Sitafloxacin (CAS 2128355-65-5), with molecular formula C19H18ClF2N3O3 and molecular weight 409.10 g/mol. IUPAC: 7-(7-amino-5-azaspiro[2.4]heptan-5-yl)-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of Sitafloxacin
Property Insights of Sitafloxacin
The XLogP value of 2.7026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sitafloxacin. The TPSA of 88.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Sitafloxacin. Following Lipinski's Rule of Five, Sitafloxacin 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?
The CAS number of Sitafloxacin is 2128355-65-5.
What is the molecular formula of Sitafloxacin?
The molecular formula of Sitafloxacin is C19H18ClF2N3O3.
What is the molecular weight of Sitafloxacin?
The molecular weight of Sitafloxacin is 409.10 g/mol.
Where can I buy Sitafloxacin?
You can request a quote for Sitafloxacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sitafloxacin?
Yes, KEHONG BIO provides custom synthesis services for Sitafloxacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.