4-(6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoic acid
TL;DR: 4-(6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoic acid (CAS 309271-72-5) is a chemical compound with molecular formula C25H23NO6 and molecular weight 433.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid
Also Known As: 4-(6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoic acid, 4-(6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl)benzoic acid, 4-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid, 4-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoic acid, 4-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,2,3,4-tetrahydroisoquinolin-2-yl]benzoic acid
| Molecular Formula | C25H23NO6 |
|---|---|
| Molecular Weight | 433.15 g/mol |
| LogP | 4.0893 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.15253 |
| Heavy Atoms | 32 |
| Complexity | 1154.2997 |
Chemical Identifiers
| CAS Number | 309271-72-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC=C(C=C4)C(=O)O)OC)OC |
Product Overview
4-(6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoic acid (CAS 309271-72-5), with molecular formula C25H23NO6 and molecular weight 433.15 g/mol. IUPAC: 4-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoic acid.
Chemical Property Profile of 4-(6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoic acid
Property Insights of 4-(6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoic acid
The XLogP value of 4.0893 indicates that 4-(6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoic acid. Following Lipinski's Rule of Five, 4-(6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoic acid has 1 hydrogen bond donor(s) and 5 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 4-(6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoic acid?
The CAS number of 4-(6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoic acid is 309271-72-5.
What is the molecular formula of 4-(6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoic acid?
The molecular formula of 4-(6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoic acid is C25H23NO6.
What is the molecular weight of 4-(6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoic acid?
The molecular weight of 4-(6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoic acid is 433.15 g/mol.
Where can I buy 4-(6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoic acid?
You can request a quote for 4-(6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.