N-(4-methyl-2-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
TL;DR: N-(4-methyl-2-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide (CAS 786674-52-0) is a chemical compound with molecular formula C17H14N2O5 and molecular weight 326.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methyl-2-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
Also Known As: F1736-0771, N-(2-nitro-4-tolyl)-1-oxo-3-isochromancarboxamide, N-(4-methyl-2-nitrophenyl)-1-oxoisochroman-3-carboxamide, N-(4-methyl-2-nitrophenyl)(1-oxoisochroman-3-yl)carboxamide, N-(4-methyl-2-nitrophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
| Molecular Formula | C17H14N2O5 |
|---|---|
| Molecular Weight | 326.09 g/mol |
| LogP | 2.62342 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.09027 |
| Heavy Atoms | 24 |
| Complexity | 846.6246 |
Chemical Identifiers
| CAS Number | 786674-52-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)C2CC3=CC=CC=C3C(=O)O2)[N+](=O)[O-] |
Product Overview
N-(4-methyl-2-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide (CAS 786674-52-0), with molecular formula C17H14N2O5 and molecular weight 326.09 g/mol. IUPAC: N-(4-methyl-2-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.
Chemical Property Profile of N-(4-methyl-2-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
Property Insights of N-(4-methyl-2-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
The XLogP value of 2.62342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-methyl-2-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methyl-2-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide. Following Lipinski's Rule of Five, N-(4-methyl-2-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide has 1 hydrogen bond donor(s) and 5 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-methyl-2-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The CAS number of N-(4-methyl-2-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide is 786674-52-0.
What is the molecular formula of N-(4-methyl-2-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The molecular formula of N-(4-methyl-2-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide is C17H14N2O5.
What is the molecular weight of N-(4-methyl-2-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The molecular weight of N-(4-methyl-2-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide is 326.09 g/mol.
Where can I buy N-(4-methyl-2-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
You can request a quote for N-(4-methyl-2-nitrophenyl)-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-methyl-2-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methyl-2-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.