2-(4-Fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
TL;DR: 2-(4-Fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid (CAS 339106-83-1) is a chemical compound with molecular formula C16H10FNO3 and molecular weight 283.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-1-oxoisoquinoline-4-carboxylic acid
Also Known As: Bionet2_000350, 2-(4-fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid, 2-(4-fluorophenyl)-1-oxoisoquinoline-4-carboxylic acid, 2-(4-fluorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid, 2-(4-fluorophenyl)-1-oxo-isoquinoline-4-carboxylic acid
| Molecular Formula | C16H10FNO3 |
|---|---|
| Molecular Weight | 283.06 g/mol |
| LogP | 2.828 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.06448 |
| Heavy Atoms | 21 |
| Complexity | 897.5343 |
Chemical Identifiers
| CAS Number | 339106-83-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN(C2=O)C3=CC=C(C=C3)F)C(=O)O |
Product Overview
2-(4-Fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid (CAS 339106-83-1), with molecular formula C16H10FNO3 and molecular weight 283.06 g/mol. IUPAC: 2-(4-fluorophenyl)-1-oxoisoquinoline-4-carboxylic acid.
Chemical Property Profile of 2-(4-Fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
Property Insights of 2-(4-Fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid
The XLogP value of 2.828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid. With a topological polar surface area (TPSA) of 59.3 Ų, 2-(4-Fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid has 1 hydrogen bond donor(s) and 2 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-Fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid?
The CAS number of 2-(4-Fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid is 339106-83-1.
What is the molecular formula of 2-(4-Fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid?
The molecular formula of 2-(4-Fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid is C16H10FNO3.
What is the molecular weight of 2-(4-Fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid?
The molecular weight of 2-(4-Fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid is 283.06 g/mol.
Where can I buy 2-(4-Fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid?
You can request a quote for 2-(4-Fluorophenyl)-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-Fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.