![2-[(2-Methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid structure](/static/products/3427/342786-82-7.webp)
2-[(2-Methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid
TL;DR: 2-[(2-Methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid (CAS 342786-82-7) is a chemical compound with molecular formula C18H16N2O6 and molecular weight 356.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid
Also Known As: 2-[(2-methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid, 2-((2-Methyl-4-nitrophenyl)(propionyl)carbamoyl)benzoic acid
| Molecular Formula | C18H16N2O6 |
|---|---|
| Molecular Weight | 356.10 g/mol |
| LogP | 3.18482 |
| Topological Polar Surface Area | 117.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.10083 |
| Heavy Atoms | 26 |
| Complexity | 906.3044 |
Chemical Identifiers
| CAS Number | 342786-82-7 |
|---|---|
| SMILES | CCC(=O)N(C1=C(C=C(C=C1)[N+](=O)[O-])C)C(=O)C2=CC=CC=C2C(=O)O |
Product Overview
2-[(2-Methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid (CAS 342786-82-7), with molecular formula C18H16N2O6 and molecular weight 356.10 g/mol. IUPAC: 2-[(2-methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid.
Chemical Property Profile of 2-[(2-Methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid
Property Insights of 2-[(2-Methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid
The XLogP value of 3.18482 indicates that 2-[(2-Methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid. Following Lipinski's Rule of Five, 2-[(2-Methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid 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 2-[(2-Methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid?
The CAS number of 2-[(2-Methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid is 342786-82-7.
What is the molecular formula of 2-[(2-Methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid?
The molecular formula of 2-[(2-Methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid is C18H16N2O6.
What is the molecular weight of 2-[(2-Methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid?
The molecular weight of 2-[(2-Methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid is 356.10 g/mol.
Where can I buy 2-[(2-Methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid?
You can request a quote for 2-[(2-Methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Methyl-4-nitrophenyl)-propanoylcarbamoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.