1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylic Acid
TL;DR: 1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylic Acid (CAS 477851-07-3) is a chemical compound with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylic acid
Also Known As: 1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylic Acid, 1-oxo-2-(3-pyridinylmethyl)-1,2-dihydro-4-isoquinolinecarboxylic acid, 1-oxo-2-(pyridin-3-ylmethyl)-1,2-dihydroisoquinoline-4-carboxylic acid, 1-oxo-2-[(pyridin-3-yl)methyl]-1,2-dihydroisoquinoline-4-carboxylic acid, 1,2-Dihydro-1-oxo-2-[(pyridin-3-yl)methyl]isoquinoline-4-carboxylic acid
| Molecular Formula | C16H12N2O3 |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 2.143 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.08478 |
| Heavy Atoms | 21 |
| Complexity | 869.5745 |
Chemical Identifiers
| CAS Number | 477851-07-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN(C2=O)CC3=CN=CC=C3)C(=O)O |
Product Overview
1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylic Acid (CAS 477851-07-3), with molecular formula C16H12N2O3 and molecular weight 280.08 g/mol. IUPAC: 1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylic acid.
Chemical Property Profile of 1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylic Acid
Property Insights of 1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylic Acid
The XLogP value of 2.143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylic Acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylic Acid. Following Lipinski's Rule of Five, 1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-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 1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylic Acid?
The CAS number of 1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylic Acid is 477851-07-3.
What is the molecular formula of 1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylic Acid?
The molecular formula of 1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylic Acid is C16H12N2O3.
What is the molecular weight of 1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylic Acid?
The molecular weight of 1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylic Acid is 280.08 g/mol.
Where can I buy 1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylic Acid?
You can request a quote for 1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-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 1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 1-oxo-2-(pyridin-3-ylmethyl)isoquinoline-4-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.