sitafloxacin isomer I(SSR)
TL;DR: sitafloxacin isomer I(SSR) (CAS 127254-11-9) 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-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1S,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
Also Known As: sitafloxacin isomer I(SSR), Sitafloxacin isomer i, Sitafloxacin isomer I (SSR), Sitafloxacin impurity 58, Sitafloxacin Isomer Impurity 3(SSR)
| 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 | 127254-11-9 |
|---|---|
| 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 |
Product Overview
sitafloxacin isomer I(SSR) (CAS 127254-11-9), with molecular formula C19H18ClF2N3O3 and molecular weight 409.10 g/mol. IUPAC: 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1S,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of sitafloxacin isomer I(SSR)
Property Insights of sitafloxacin isomer I(SSR)
The XLogP value of 2.7026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for sitafloxacin isomer I(SSR). The TPSA of 88.56 Ų falls within the moderate polarity range, balancing permeability and solubility for sitafloxacin isomer I(SSR). Following Lipinski's Rule of Five, sitafloxacin isomer I(SSR) 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 isomer I(SSR)?
The CAS number of sitafloxacin isomer I(SSR) is 127254-11-9.
What is the molecular formula of sitafloxacin isomer I(SSR)?
The molecular formula of sitafloxacin isomer I(SSR) is C19H18ClF2N3O3.
What is the molecular weight of sitafloxacin isomer I(SSR)?
The molecular weight of sitafloxacin isomer I(SSR) is 409.10 g/mol.
Where can I buy sitafloxacin isomer I(SSR)?
You can request a quote for sitafloxacin isomer I(SSR) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sitafloxacin isomer I(SSR)?
Yes, KEHONG BIO provides custom synthesis services for sitafloxacin isomer I(SSR) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.