2-(4-Fluorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide
TL;DR: 2-(4-Fluorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide (CAS 339106-93-3) is a chemical compound with molecular formula C16H11FN2O2 and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-1-oxoisoquinoline-4-carboxamide
Also Known As: Bionet2_000044, 2-(4-fluorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide, 2-(4-fluorophenyl)-1-oxoisoquinoline-4-carboxamide, 9H-068, 2-(4-fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
| Molecular Formula | C16H11FN2O2 |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 2.2287 |
| Topological Polar Surface Area | 65.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.08044 |
| Heavy Atoms | 21 |
| Complexity | 898.2892 |
Chemical Identifiers
| CAS Number | 339106-93-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN(C2=O)C3=CC=C(C=C3)F)C(=O)N |
Product Overview
2-(4-Fluorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide (CAS 339106-93-3), with molecular formula C16H11FN2O2 and molecular weight 282.08 g/mol. IUPAC: 2-(4-fluorophenyl)-1-oxoisoquinoline-4-carboxamide.
Chemical Property Profile of 2-(4-Fluorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide
Property Insights of 2-(4-Fluorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide
The XLogP value of 2.2287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Fluorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide. The TPSA of 65.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Fluorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide 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-dihydro-4-isoquinolinecarboxamide?
The CAS number of 2-(4-Fluorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide is 339106-93-3.
What is the molecular formula of 2-(4-Fluorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide?
The molecular formula of 2-(4-Fluorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide is C16H11FN2O2.
What is the molecular weight of 2-(4-Fluorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide?
The molecular weight of 2-(4-Fluorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide is 282.08 g/mol.
Where can I buy 2-(4-Fluorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide?
You can request a quote for 2-(4-Fluorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide 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-dihydro-4-isoquinolinecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorophenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.