![4-[(3-Methyl-2,4,6-trinitrophenyl)amino]benzoic acid structure](/static/products/372/372972-06-0.png)
4-[(3-Methyl-2,4,6-trinitrophenyl)amino]benzoic acid
TL;DR: 4-[(3-Methyl-2,4,6-trinitrophenyl)amino]benzoic acid (CAS 372972-06-0) is a chemical compound with molecular formula C14H10N4O8 and molecular weight 362.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methyl-2,4,6-trinitroanilino)benzoic acid
Also Known As: BAS 01237058, 4-(3-methyl-2,4,6-trinitroanilino)benzoic acid, 4-[(3-methyl-2,4,6-trinitrophenyl)amino]benzoic acid, 4-((3-methyl-2,4,6-trinitrophenyl)amino)benzoic acid, 4-(3-Methyl-2,4,6-trinitro-phenylamino)-benzoic acid
| Molecular Formula | C14H10N4O8 |
|---|---|
| Molecular Weight | 362.05 g/mol |
| LogP | 3.16142 |
| Topological Polar Surface Area | 178.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.04987 |
| Heavy Atoms | 26 |
| Complexity | 938.95325 |
Chemical Identifiers
| CAS Number | 372972-06-0 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-] |
Product Overview
4-[(3-Methyl-2,4,6-trinitrophenyl)amino]benzoic acid (CAS 372972-06-0), with molecular formula C14H10N4O8 and molecular weight 362.05 g/mol. IUPAC: 4-(3-methyl-2,4,6-trinitroanilino)benzoic acid.
Chemical Property Profile of 4-[(3-Methyl-2,4,6-trinitrophenyl)amino]benzoic acid
Property Insights of 4-[(3-Methyl-2,4,6-trinitrophenyl)amino]benzoic acid
The XLogP value of 3.16142 indicates that 4-[(3-Methyl-2,4,6-trinitrophenyl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.75 Ų indicates high polarity, suggesting 4-[(3-Methyl-2,4,6-trinitrophenyl)amino]benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[(3-Methyl-2,4,6-trinitrophenyl)amino]benzoic acid has 2 hydrogen bond donor(s) and 8 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 4-[(3-Methyl-2,4,6-trinitrophenyl)amino]benzoic acid?
The CAS number of 4-[(3-Methyl-2,4,6-trinitrophenyl)amino]benzoic acid is 372972-06-0.
What is the molecular formula of 4-[(3-Methyl-2,4,6-trinitrophenyl)amino]benzoic acid?
The molecular formula of 4-[(3-Methyl-2,4,6-trinitrophenyl)amino]benzoic acid is C14H10N4O8.
What is the molecular weight of 4-[(3-Methyl-2,4,6-trinitrophenyl)amino]benzoic acid?
The molecular weight of 4-[(3-Methyl-2,4,6-trinitrophenyl)amino]benzoic acid is 362.05 g/mol.
Where can I buy 4-[(3-Methyl-2,4,6-trinitrophenyl)amino]benzoic acid?
You can request a quote for 4-[(3-Methyl-2,4,6-trinitrophenyl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3-Methyl-2,4,6-trinitrophenyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-Methyl-2,4,6-trinitrophenyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.