N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
TL;DR: N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide (CAS 720671-66-9) is a chemical compound with molecular formula C17H14FNO3 and molecular weight 299.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
Also Known As: BAS 09687616, N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide, AF-399/42796852, N-(2-fluorophenyl)-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide, N-(2-fluorophenyl)-3-methyl-1-oxoisochroman-3-carboxamide
| Molecular Formula | C17H14FNO3 |
|---|---|
| Molecular Weight | 299.10 g/mol |
| LogP | 2.936 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.09576 |
| Heavy Atoms | 22 |
| Complexity | 759.0742 |
Chemical Identifiers
| CAS Number | 720671-66-9 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=CC=C3F |
Product Overview
N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide (CAS 720671-66-9), with molecular formula C17H14FNO3 and molecular weight 299.10 g/mol. IUPAC: N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide.
Chemical Property Profile of N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
Property Insights of N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
The XLogP value of 2.936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide. With a topological polar surface area (TPSA) of 55.4 Ų, N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide 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 N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The CAS number of N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide is 720671-66-9.
What is the molecular formula of N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The molecular formula of N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide is C17H14FNO3.
What is the molecular weight of N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The molecular weight of N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide is 299.10 g/mol.
Where can I buy N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
You can request a quote for N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-fluorophenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.