![6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid structure](/static/products/6977/697761-99-2.webp)
6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid
TL;DR: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid (CAS 697761-99-2) is a chemical compound with molecular formula C24H25ClFNO5 and molecular weight 461.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
Also Known As: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid, 3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(tert-butyl)-2-hydroxyethyl]-8-methoxy-4-oxo-, 6-[(3-Chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl)-2,2-dimethylpropyl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
| Molecular Formula | C24H25ClFNO5 |
|---|---|
| Molecular Weight | 461.14 g/mol |
| LogP | 4.6711 |
| Topological Polar Surface Area | 88.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.14053 |
| Heavy Atoms | 32 |
| Complexity | 1245.8389 |
Chemical Identifiers
| CAS Number | 697761-99-2 |
|---|---|
| SMILES | CC(C)(C)[C@@H](CO)N1C=C(C(=O)C2=C1C(=CC(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O |
Product Overview
6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid (CAS 697761-99-2), with molecular formula C24H25ClFNO5 and molecular weight 461.14 g/mol. IUPAC: 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid
Property Insights of 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid
The XLogP value of 4.6711 indicates that 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid 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 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid?
The CAS number of 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid is 697761-99-2.
What is the molecular formula of 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid?
The molecular formula of 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid is C24H25ClFNO5.
What is the molecular weight of 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid?
The molecular weight of 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid is 461.14 g/mol.
Where can I buy 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid?
You can request a quote for 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.