2-(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoic acid
TL;DR: 2-(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoic acid (CAS 697742-86-2) is a chemical compound with molecular formula C20H21NO5 and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzoic acid
Also Known As: 2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzoic Acid, 2-(6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoic acid, 2-[(6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)carbonyl]benzoic acid, 2-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]benzoic acid
| Molecular Formula | C20H21NO5 |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 3.1615 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.14197 |
| Heavy Atoms | 26 |
| Complexity | 861.2752 |
Chemical Identifiers
| CAS Number | 697742-86-2 |
|---|---|
| SMILES | CC1C2=CC(=C(C=C2CCN1C(=O)C3=CC=CC=C3C(=O)O)OC)OC |
Product Overview
2-(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoic acid (CAS 697742-86-2), with molecular formula C20H21NO5 and molecular weight 355.14 g/mol. IUPAC: 2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzoic acid.
Chemical Property Profile of 2-(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoic acid
Property Insights of 2-(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoic acid
The XLogP value of 3.1615 indicates that 2-(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoic acid. Following Lipinski's Rule of Five, 2-(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoic acid has 1 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 2-(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoic acid?
The CAS number of 2-(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoic acid is 697742-86-2.
What is the molecular formula of 2-(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoic acid?
The molecular formula of 2-(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoic acid is C20H21NO5.
What is the molecular weight of 2-(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoic acid?
The molecular weight of 2-(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoic acid is 355.14 g/mol.
Where can I buy 2-(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoic acid?
You can request a quote for 2-(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.