3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid
TL;DR: 3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid (CAS 400073-91-8) is a chemical compound with molecular formula C22H22ClNO3 and molecular weight 383.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
Also Known As: 3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid, 3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic Acid, 3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid, chlorophenylcyclohexyloxotetrahydroisoquinolinecarboxylicacid, 3-(4-chlorophenyl)-2-cyclohexyl-1-oxo -1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid
| Molecular Formula | C22H22ClNO3 |
|---|---|
| Molecular Weight | 383.13 g/mol |
| LogP | 5.038 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.1288 |
| Heavy Atoms | 27 |
| Complexity | 858.1165 |
Chemical Identifiers
| CAS Number | 400073-91-8 |
|---|---|
| SMILES | C1CCC(CC1)N2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=CC=C(C=C4)Cl |
Product Overview
3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid (CAS 400073-91-8), with molecular formula C22H22ClNO3 and molecular weight 383.13 g/mol. IUPAC: 3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid.
Chemical Property Profile of 3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid
Property Insights of 3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid
The XLogP value of 5.038 indicates that 3-(4-chlorophenyl)-2-cyclohexyl-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, 3-(4-chlorophenyl)-2-cyclohexyl-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, 3-(4-chlorophenyl)-2-cyclohexyl-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 3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid?
The CAS number of 3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid is 400073-91-8.
What is the molecular formula of 3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid?
The molecular formula of 3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid is C22H22ClNO3.
What is the molecular weight of 3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid?
The molecular weight of 3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid is 383.13 g/mol.
Where can I buy 3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid?
You can request a quote for 3-(4-chlorophenyl)-2-cyclohexyl-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 3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.