![2-[(2,5-Dimethylphenyl)amino]-3,5-dinitrobenzoic acid structure](/static/products/780/780758-56-7.png)
2-[(2,5-Dimethylphenyl)amino]-3,5-dinitrobenzoic acid
TL;DR: 2-[(2,5-Dimethylphenyl)amino]-3,5-dinitrobenzoic acid (CAS 780758-56-7) is a chemical compound with molecular formula C15H13N3O6 and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dimethylanilino)-3,5-dinitrobenzoic acid
Also Known As: 2-[(2,5-dimethylphenyl)amino]-3,5-dinitrobenzoic acid, 2-(2,5-dimethylanilino)-3,5-dinitrobenzoic acid
| Molecular Formula | C15H13N3O6 |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 3.56164 |
| Topological Polar Surface Area | 135.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.08044 |
| Heavy Atoms | 24 |
| Complexity | 827.27814 |
Chemical Identifiers
| CAS Number | 780758-56-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
Product Overview
2-[(2,5-Dimethylphenyl)amino]-3,5-dinitrobenzoic acid (CAS 780758-56-7), with molecular formula C15H13N3O6 and molecular weight 331.08 g/mol. IUPAC: 2-(2,5-dimethylanilino)-3,5-dinitrobenzoic acid.
Chemical Property Profile of 2-[(2,5-Dimethylphenyl)amino]-3,5-dinitrobenzoic acid
Property Insights of 2-[(2,5-Dimethylphenyl)amino]-3,5-dinitrobenzoic acid
The XLogP value of 3.56164 indicates that 2-[(2,5-Dimethylphenyl)amino]-3,5-dinitrobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,5-Dimethylphenyl)amino]-3,5-dinitrobenzoic acid. Following Lipinski's Rule of Five, 2-[(2,5-Dimethylphenyl)amino]-3,5-dinitrobenzoic acid has 2 hydrogen bond donor(s) and 6 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-[(2,5-Dimethylphenyl)amino]-3,5-dinitrobenzoic acid?
The CAS number of 2-[(2,5-Dimethylphenyl)amino]-3,5-dinitrobenzoic acid is 780758-56-7.
What is the molecular formula of 2-[(2,5-Dimethylphenyl)amino]-3,5-dinitrobenzoic acid?
The molecular formula of 2-[(2,5-Dimethylphenyl)amino]-3,5-dinitrobenzoic acid is C15H13N3O6.
What is the molecular weight of 2-[(2,5-Dimethylphenyl)amino]-3,5-dinitrobenzoic acid?
The molecular weight of 2-[(2,5-Dimethylphenyl)amino]-3,5-dinitrobenzoic acid is 331.08 g/mol.
Where can I buy 2-[(2,5-Dimethylphenyl)amino]-3,5-dinitrobenzoic acid?
You can request a quote for 2-[(2,5-Dimethylphenyl)amino]-3,5-dinitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,5-Dimethylphenyl)amino]-3,5-dinitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,5-Dimethylphenyl)amino]-3,5-dinitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.