![2-[(3,4-Dimethylphenyl)carbamoyl]-3-nitrobenzoic acid structure](/static/products/351/351998-00-0.png)
2-[(3,4-Dimethylphenyl)carbamoyl]-3-nitrobenzoic acid
TL;DR: 2-[(3,4-Dimethylphenyl)carbamoyl]-3-nitrobenzoic acid (CAS 351998-00-0) is a chemical compound with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dimethylphenyl)carbamoyl]-3-nitrobenzoic acid
Also Known As: 2-[(3,4-dimethylphenyl)carbamoyl]-3-nitrobenzoic acid, 2-[(3,4-dimethylanilino)carbonyl]-3-nitrobenzoic acid, N-(3,4-DIMETHYL-PHENYL)-3-NITRO-PHTHALAMIC ACID, 2-[N-(3,4-dimethylphenyl)carbamoyl]-3-nitrobenzoic acid
| Molecular Formula | C16H14N2O5 |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 3.16214 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.09027 |
| Heavy Atoms | 23 |
| Complexity | 781.86304 |
Chemical Identifiers
| CAS Number | 351998-00-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O)C |
Product Overview
2-[(3,4-Dimethylphenyl)carbamoyl]-3-nitrobenzoic acid (CAS 351998-00-0), with molecular formula C16H14N2O5 and molecular weight 314.09 g/mol. IUPAC: 2-[(3,4-dimethylphenyl)carbamoyl]-3-nitrobenzoic acid.
Chemical Property Profile of 2-[(3,4-Dimethylphenyl)carbamoyl]-3-nitrobenzoic acid
Property Insights of 2-[(3,4-Dimethylphenyl)carbamoyl]-3-nitrobenzoic acid
The XLogP value of 3.16214 indicates that 2-[(3,4-Dimethylphenyl)carbamoyl]-3-nitrobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3,4-Dimethylphenyl)carbamoyl]-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-[(3,4-Dimethylphenyl)carbamoyl]-3-nitrobenzoic acid has 2 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 2-[(3,4-Dimethylphenyl)carbamoyl]-3-nitrobenzoic acid?
The CAS number of 2-[(3,4-Dimethylphenyl)carbamoyl]-3-nitrobenzoic acid is 351998-00-0.
What is the molecular formula of 2-[(3,4-Dimethylphenyl)carbamoyl]-3-nitrobenzoic acid?
The molecular formula of 2-[(3,4-Dimethylphenyl)carbamoyl]-3-nitrobenzoic acid is C16H14N2O5.
What is the molecular weight of 2-[(3,4-Dimethylphenyl)carbamoyl]-3-nitrobenzoic acid?
The molecular weight of 2-[(3,4-Dimethylphenyl)carbamoyl]-3-nitrobenzoic acid is 314.09 g/mol.
Where can I buy 2-[(3,4-Dimethylphenyl)carbamoyl]-3-nitrobenzoic acid?
You can request a quote for 2-[(3,4-Dimethylphenyl)carbamoyl]-3-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3,4-Dimethylphenyl)carbamoyl]-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,4-Dimethylphenyl)carbamoyl]-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.