2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid
TL;DR: 2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid (CAS 400073-92-9) is a chemical compound with molecular formula C21H19Cl2NO3 and molecular weight 403.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
Also Known As: 2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid, 2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic Acid, 2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid, 2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo -1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid, cyclopentyldichlorophenyloxotetrahydroisoquinolinecarboxylicacid
| Molecular Formula | C21H19Cl2NO3 |
|---|---|
| Molecular Weight | 403.07 g/mol |
| LogP | 5.3013 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.0742 |
| Heavy Atoms | 27 |
| Complexity | 908.0498 |
Chemical Identifiers
| CAS Number | 400073-92-9 |
|---|---|
| SMILES | C1CCC(C1)N2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid (CAS 400073-92-9), with molecular formula C21H19Cl2NO3 and molecular weight 403.07 g/mol. IUPAC: 2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid.
Chemical Property Profile of 2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid
Property Insights of 2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid
The XLogP value of 5.3013 indicates that 2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid?
The CAS number of 2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid is 400073-92-9.
What is the molecular formula of 2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid?
The molecular formula of 2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid is C21H19Cl2NO3.
What is the molecular weight of 2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid?
The molecular weight of 2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid is 403.07 g/mol.
Where can I buy 2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid?
You can request a quote for 2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-cyclopentyl-3-(2,4-dichlorophenyl)-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.