N-(4-methyl-3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide
TL;DR: N-(4-methyl-3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide (CAS 304887-64-7) is a chemical compound with molecular formula C17H12N2O5 and molecular weight 324.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methyl-3-nitrophenyl)-2-oxochromene-3-carboxamide
Also Known As: BAS 00837992, N-(4-methyl-3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide, N-(4-methyl-3-nitrophenyl)-2-oxochromene-3-carboxamide, N-(4-methyl-3-nitrophenyl)(2-oxochromen-3-yl)carboxamide, N-{3-nitro-4-methylphenyl}-2-oxo-2H-chromene-3-carboxamide
| Molecular Formula | C17H12N2O5 |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.07462 |
| Heavy Atoms | 24 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 304887-64-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O)[N+](=O)[O-] |
| InChIKey | DNAQWVCDMRLUOD-UHFFFAOYSA-N |
Product Overview
N-(4-methyl-3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide (CAS 304887-64-7), with molecular formula C17H12N2O5 and molecular weight 324.07 g/mol. IUPAC: N-(4-methyl-3-nitrophenyl)-2-oxochromene-3-carboxamide.
Chemical Property Profile of N-(4-methyl-3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide
Property Insights of N-(4-methyl-3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide
The XLogP value of 3.1 indicates that N-(4-methyl-3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methyl-3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide. Following Lipinski's Rule of Five, N-(4-methyl-3-nitrophenyl)-2-oxo-2H-chromene-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-3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide?
The CAS number of N-(4-methyl-3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide is 304887-64-7.
What is the molecular formula of N-(4-methyl-3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide?
The molecular formula of N-(4-methyl-3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide is C17H12N2O5.
What is the molecular weight of N-(4-methyl-3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide?
The molecular weight of N-(4-methyl-3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide is 324.07 g/mol.
Where can I buy N-(4-methyl-3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide?
You can request a quote for N-(4-methyl-3-nitrophenyl)-2-oxo-2H-chromene-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-3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methyl-3-nitrophenyl)-2-oxo-2H-chromene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.