N-(4-cyanophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
TL;DR: N-(4-cyanophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide (CAS 627889-87-6) is a chemical compound with molecular formula C17H12N2O3 and molecular weight 292.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-cyanophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
Also Known As: BAS 07776988, N-(4-cyanophenyl)-1-oxoisochroman-3-carboxamide, N-(4-cyanophenyl)(1-oxoisochroman-3-yl)carboxamide, N-(4-cyanophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide, 1-Oxo-isochroman-3-carboxylic acid (4-cyano-phenyl)-amide
| Molecular Formula | C17H12N2O3 |
|---|---|
| Molecular Weight | 292.08 g/mol |
| LogP | 2.27848 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.08478 |
| Heavy Atoms | 22 |
| Complexity | 775.2362 |
Chemical Identifiers
| CAS Number | 627889-87-6 |
|---|---|
| SMILES | C1C(OC(=O)C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)C#N |
Product Overview
N-(4-cyanophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide (CAS 627889-87-6), with molecular formula C17H12N2O3 and molecular weight 292.08 g/mol. IUPAC: N-(4-cyanophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.
Chemical Property Profile of N-(4-cyanophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
Property Insights of N-(4-cyanophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
The XLogP value of 2.27848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-cyanophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-cyanophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide. Following Lipinski's Rule of Five, N-(4-cyanophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide has 1 hydrogen bond donor(s) and 4 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-(4-cyanophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The CAS number of N-(4-cyanophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide is 627889-87-6.
What is the molecular formula of N-(4-cyanophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The molecular formula of N-(4-cyanophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide is C17H12N2O3.
What is the molecular weight of N-(4-cyanophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The molecular weight of N-(4-cyanophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide is 292.08 g/mol.
Where can I buy N-(4-cyanophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
You can request a quote for N-(4-cyanophenyl)-1-oxo-3,4-dihydroisochromene-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-(4-cyanophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-cyanophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.