Sitafloxacin Impurity Q
TL;DR: Sitafloxacin Impurity Q (CAS 127199-26-2) is a chemical compound with molecular formula C13H7ClF3NO3 and molecular weight 317.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-6,7-difluoro-1-[(1S,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
Also Known As: Sitafloxacin Impurity Q, 8-Chloro-6,7-difluoro-1-[(1S,2R)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid, 8-chloro-6,7-difluoro-1-[(1S,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid, 8-Chloro-6,7-difluoro-1-((1S,2R)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, (1S-cis)-8-Chloro-6,7-difluoro-1-(2-fluorocyclopropyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
| Molecular Formula | C13H7ClF3NO3 |
|---|---|
| Molecular Weight | 317.01 g/mol |
| LogP | 2.9142 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.00665 |
| Heavy Atoms | 21 |
| Complexity | 848.896 |
Chemical Identifiers
| CAS Number | 127199-26-2 |
|---|---|
| SMILES | C1[C@@H]([C@@H]1F)N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)F)F)C(=O)O |
Product Overview
Sitafloxacin Impurity Q (CAS 127199-26-2), with molecular formula C13H7ClF3NO3 and molecular weight 317.01 g/mol. IUPAC: 8-chloro-6,7-difluoro-1-[(1S,2R)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of Sitafloxacin Impurity Q
Property Insights of Sitafloxacin Impurity Q
The XLogP value of 2.9142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sitafloxacin Impurity Q. With a topological polar surface area (TPSA) of 59.3 Ų, Sitafloxacin Impurity Q exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sitafloxacin Impurity Q has 1 hydrogen bond donor(s) and 2 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 Impurity Q?
The CAS number of Sitafloxacin Impurity Q is 127199-26-2.
What is the molecular formula of Sitafloxacin Impurity Q?
The molecular formula of Sitafloxacin Impurity Q is C13H7ClF3NO3.
What is the molecular weight of Sitafloxacin Impurity Q?
The molecular weight of Sitafloxacin Impurity Q is 317.01 g/mol.
Where can I buy Sitafloxacin Impurity Q?
You can request a quote for Sitafloxacin Impurity Q directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sitafloxacin Impurity Q?
Yes, KEHONG BIO provides custom synthesis services for Sitafloxacin Impurity Q and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.