4-(2,4,6-Trinitrophenylamino)benzoic acid
TL;DR: 4-(2,4,6-Trinitrophenylamino)benzoic acid (CAS 7221-18-3) is a chemical compound with molecular formula C13H8N4O8 and molecular weight 348.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4,6-trinitroanilino)benzoic acid
Also Known As: 4-picraminobenzoic acid, 4-(2,4,6-Trinitrophenylamino)benzoic acid, 4-(2,4,6-trinitroanilino)benzoic acid, 4-[(2,4,6-trinitrophenyl)amino]benzoic Acid, 4-[(2,4,6-Trinitrophenyl)amino]benzoic acid anion
| Molecular Formula | C13H8N4O8 |
|---|---|
| Molecular Weight | 348.03 g/mol |
| LogP | 2.853 |
| Topological Polar Surface Area | 178.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.0342 |
| Heavy Atoms | 25 |
| Complexity | 858.39716 |
Chemical Identifiers
| CAS Number | 7221-18-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-(2,4,6-Trinitrophenylamino)benzoic acid (CAS 7221-18-3), with molecular formula C13H8N4O8 and molecular weight 348.03 g/mol. IUPAC: 4-(2,4,6-trinitroanilino)benzoic acid.
Chemical Property Profile of 4-(2,4,6-Trinitrophenylamino)benzoic acid
Property Insights of 4-(2,4,6-Trinitrophenylamino)benzoic acid
The XLogP value of 2.853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,4,6-Trinitrophenylamino)benzoic acid. The TPSA of 178.75 Ų indicates high polarity, suggesting 4-(2,4,6-Trinitrophenylamino)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(2,4,6-Trinitrophenylamino)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-(2,4,6-Trinitrophenylamino)benzoic acid?
The CAS number of 4-(2,4,6-Trinitrophenylamino)benzoic acid is 7221-18-3.
What is the molecular formula of 4-(2,4,6-Trinitrophenylamino)benzoic acid?
The molecular formula of 4-(2,4,6-Trinitrophenylamino)benzoic acid is C13H8N4O8.
What is the molecular weight of 4-(2,4,6-Trinitrophenylamino)benzoic acid?
The molecular weight of 4-(2,4,6-Trinitrophenylamino)benzoic acid is 348.03 g/mol.
Where can I buy 4-(2,4,6-Trinitrophenylamino)benzoic acid?
You can request a quote for 4-(2,4,6-Trinitrophenylamino)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-(2,4,6-Trinitrophenylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4,6-Trinitrophenylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.