Sitafloxacin
TL;DR: Sitafloxacin (CAS 127254-12-0) is a chemical compound with molecular formula C19H18ClF2N3O3 and molecular weight 409.10046 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
Also Known As: Sitafloxacin, Sitafloxacin [INN], Sitafloxacin(DU 6859A), DU 6859A, DU 6859
Technical Specifications
| Molecular Formula | C19H18ClF2N3O3 |
| Molecular Weight | 409.10046 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 86.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.10046 Da |
| Heavy Atoms | 28 |
| Complexity | 761.0 |
| SMILES | C1CC12CN(C[C@H]2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5C[C@@H]5F)F |
| InChIKey | PNUZDKCDAWUEGK-RDWQBYKPSA-N |
Chemical Property Profile of Sitafloxacin
Property Insights of Sitafloxacin
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sitafloxacin. The TPSA of 86.9 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 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Sitafloxacin?
The CAS number of Sitafloxacin is 127254-12-0.
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 409.10046 g/mol.
Where can I buy Sitafloxacin?
You can request a quote for Sitafloxacin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sitafloxacin?
Yes, CoreyChem provides custom synthesis services for Sitafloxacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.