2-(4-Methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
TL;DR: 2-(4-Methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid (CAS 133096-36-3) is a chemical compound with molecular formula C17H13NO4 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylic acid
Also Known As: 2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid, 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylic acid, 2-(4-methoxyphenyl)-1-oxo-isoquinoline-4-carboxylic acid, 4-isoquinolinecarboxylic acid, 1,2-dihydro-2-(4-methoxyphenyl)-1-oxo-, 2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylicacid
| Molecular Formula | C17H13NO4 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 2.6975 |
| Topological Polar Surface Area | 68.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.08447 |
| Heavy Atoms | 22 |
| Complexity | 910.0854 |
Chemical Identifiers
| CAS Number | 133096-36-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)O |
Product Overview
2-(4-Methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid (CAS 133096-36-3), with molecular formula C17H13NO4 and molecular weight 295.08 g/mol. IUPAC: 2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylic acid.
Chemical Property Profile of 2-(4-Methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Property Insights of 2-(4-Methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
The XLogP value of 2.6975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid. The TPSA of 68.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid. Following Lipinski's Rule of Five, 2-(4-Methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid has 1 hydrogen bond donor(s) and 3 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-(4-Methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid?
The CAS number of 2-(4-Methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid is 133096-36-3.
What is the molecular formula of 2-(4-Methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid?
The molecular formula of 2-(4-Methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid is C17H13NO4.
What is the molecular weight of 2-(4-Methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid?
The molecular weight of 2-(4-Methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid is 295.08 g/mol.
Where can I buy 2-(4-Methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid?
You can request a quote for 2-(4-Methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.