![3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl )-2,2-dimethylpropyl]-7-(1-methylethoxy)-4-oxo- structure](/static/products/697/697761-86-7.png)
3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl )-2,2-dimethylpropyl]-7-(1-methylethoxy)-4-oxo-
TL;DR: 3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl )-2,2-dimethylpropyl]-7-(1-methylethoxy)-4-oxo- (CAS 697761-86-7) is a chemical compound with molecular formula C26H29ClFNO5 and molecular weight 489.17 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]-4-oxo-7-propan-2-yloxyquinoline-3-carboxylic acid
Also Known As: 3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl )-2,2-dimethylpropyl]-7-(1-methylethoxy)-4-oxo-, 3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(1S)-1-(tert-butyl)-2-hydroxyethyl]-1,4-dihydro-4-oxo-7-isopropoxy-, 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1S)-1-(hydroxymethyl)-2,2-dimethyl-propyl]-7-isopropoxy-4-oxo-quinoline-3-carboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-7-propan-2-yloxyquinoline-3-carboxylic acid
| Molecular Formula | C26H29ClFNO5 |
|---|---|
| Molecular Weight | 489.17 g/mol |
| LogP | 5.4497 |
| Topological Polar Surface Area | 88.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 489.1718 |
| Heavy Atoms | 34 |
| Complexity | 1293.0613 |
Chemical Identifiers
| CAS Number | 697761-86-7 |
|---|---|
| SMILES | CC(C)OC1=CC2=C(C=C1CC3=C(C(=CC=C3)Cl)F)C(=O)C(=CN2[C@H](CO)C(C)(C)C)C(=O)O |
Product Overview
3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl )-2,2-dimethylpropyl]-7-(1-methylethoxy)-4-oxo- (CAS 697761-86-7), with molecular formula C26H29ClFNO5 and molecular weight 489.17 g/mol. IUPAC: 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-4-oxo-7-propan-2-yloxyquinoline-3-carboxylic acid.
Chemical Property Profile of 3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl )-2,2-dimethylpropyl]-7-(1-methylethoxy)-4-oxo-
Property Insights of 3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl )-2,2-dimethylpropyl]-7-(1-methylethoxy)-4-oxo-
The XLogP value of 5.4497 indicates that 3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl )-2,2-dimethylpropyl]-7-(1-methylethoxy)-4-oxo- 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 3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl )-2,2-dimethylpropyl]-7-(1-methylethoxy)-4-oxo-. Following Lipinski's Rule of Five, 3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl )-2,2-dimethylpropyl]-7-(1-methylethoxy)-4-oxo- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl )-2,2-dimethylpropyl]-7-(1-methylethoxy)-4-oxo-?
The CAS number of 3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl )-2,2-dimethylpropyl]-7-(1-methylethoxy)-4-oxo- is 697761-86-7.
What is the molecular formula of 3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl )-2,2-dimethylpropyl]-7-(1-methylethoxy)-4-oxo-?
The molecular formula of 3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl )-2,2-dimethylpropyl]-7-(1-methylethoxy)-4-oxo- is C26H29ClFNO5.
What is the molecular weight of 3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl )-2,2-dimethylpropyl]-7-(1-methylethoxy)-4-oxo-?
The molecular weight of 3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl )-2,2-dimethylpropyl]-7-(1-methylethoxy)-4-oxo- is 489.17 g/mol.
Where can I buy 3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl )-2,2-dimethylpropyl]-7-(1-methylethoxy)-4-oxo-?
You can request a quote for 3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl )-2,2-dimethylpropyl]-7-(1-methylethoxy)-4-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl )-2,2-dimethylpropyl]-7-(1-methylethoxy)-4-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 3-Quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl )-2,2-dimethylpropyl]-7-(1-methylethoxy)-4-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.