4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)benzoic acid
TL;DR: 4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)benzoic acid (CAS 879453-19-7) is a chemical compound with molecular formula C26H25NO5 and molecular weight 431.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6,7-diethoxy-3-oxo-1-phenyl-1,4-dihydroisoquinolin-2-yl)benzoic acid
Also Known As: 4-(6,7-diethoxy-3-oxo-1-phenyl-1,4-dihydroisoquinolin-2-yl)benzoic Acid, 4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)benzoic acid, 4-(6,7-Diethoxy-3-oxo-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-benzoic acid, Opera_ID_1464
| Molecular Formula | C26H25NO5 |
|---|---|
| Molecular Weight | 431.17 g/mol |
| LogP | 4.8609 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.17328 |
| Heavy Atoms | 32 |
| Complexity | 1124.9591 |
Chemical Identifiers
| CAS Number | 879453-19-7 |
|---|---|
| SMILES | CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4)OCC |
Product Overview
4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)benzoic acid (CAS 879453-19-7), with molecular formula C26H25NO5 and molecular weight 431.17 g/mol. IUPAC: 4-(6,7-diethoxy-3-oxo-1-phenyl-1,4-dihydroisoquinolin-2-yl)benzoic acid.
Chemical Property Profile of 4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)benzoic acid
Property Insights of 4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)benzoic acid
The XLogP value of 4.8609 indicates that 4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)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 4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)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 4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)benzoic acid?
The CAS number of 4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)benzoic acid is 879453-19-7.
What is the molecular formula of 4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)benzoic acid?
The molecular formula of 4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)benzoic acid is C26H25NO5.
What is the molecular weight of 4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)benzoic acid?
The molecular weight of 4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)benzoic acid is 431.17 g/mol.
Where can I buy 4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)benzoic acid?
You can request a quote for 4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)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-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.