![3-[[4-(2,4,6-Trinitroanilino)benzoyl]amino]benzoic acid structure](/static/products/864/864233-69-2.png)
3-[[4-(2,4,6-Trinitroanilino)benzoyl]amino]benzoic acid
TL;DR: 3-[[4-(2,4,6-Trinitroanilino)benzoyl]amino]benzoic acid (CAS 864233-69-2) is a chemical compound with molecular formula C20H13N5O9 and molecular weight 467.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(2,4,6-trinitroanilino)benzoyl]amino]benzoic acid
Also Known As: BI-FRB-19, 3-[[4-(2,4,6-trinitroanilino)benzoyl]amino]benzoic acid, J2.376.283H, 3-({4-[(2,4,6-trinitrophenyl) amino] benzoyl}amino) benzoic acid, 3-[4-(2,4,6-Trinitroanilino)benzamido]benzoic acid
| Molecular Formula | C20H13N5O9 |
|---|---|
| Molecular Weight | 467.07 g/mol |
| LogP | 4.1053 |
| Topological Polar Surface Area | 207.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 467.07132 |
| Heavy Atoms | 34 |
| Complexity | 1303.5112 |
Chemical Identifiers
| CAS Number | 864233-69-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
Product Overview
3-[[4-(2,4,6-Trinitroanilino)benzoyl]amino]benzoic acid (CAS 864233-69-2), with molecular formula C20H13N5O9 and molecular weight 467.07 g/mol. IUPAC: 3-[[4-(2,4,6-trinitroanilino)benzoyl]amino]benzoic acid.
Chemical Property Profile of 3-[[4-(2,4,6-Trinitroanilino)benzoyl]amino]benzoic acid
Property Insights of 3-[[4-(2,4,6-Trinitroanilino)benzoyl]amino]benzoic acid
The XLogP value of 4.1053 indicates that 3-[[4-(2,4,6-Trinitroanilino)benzoyl]amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 207.85 Ų indicates high polarity, suggesting 3-[[4-(2,4,6-Trinitroanilino)benzoyl]amino]benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[[4-(2,4,6-Trinitroanilino)benzoyl]amino]benzoic acid has 3 hydrogen bond donor(s) and 9 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 3-[[4-(2,4,6-Trinitroanilino)benzoyl]amino]benzoic acid?
The CAS number of 3-[[4-(2,4,6-Trinitroanilino)benzoyl]amino]benzoic acid is 864233-69-2.
What is the molecular formula of 3-[[4-(2,4,6-Trinitroanilino)benzoyl]amino]benzoic acid?
The molecular formula of 3-[[4-(2,4,6-Trinitroanilino)benzoyl]amino]benzoic acid is C20H13N5O9.
What is the molecular weight of 3-[[4-(2,4,6-Trinitroanilino)benzoyl]amino]benzoic acid?
The molecular weight of 3-[[4-(2,4,6-Trinitroanilino)benzoyl]amino]benzoic acid is 467.07 g/mol.
Where can I buy 3-[[4-(2,4,6-Trinitroanilino)benzoyl]amino]benzoic acid?
You can request a quote for 3-[[4-(2,4,6-Trinitroanilino)benzoyl]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 3-[[4-(2,4,6-Trinitroanilino)benzoyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[4-(2,4,6-Trinitroanilino)benzoyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.