![4-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid structure](/static/products/7006/7006-77-1.webp)
4-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid
TL;DR: 4-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid (CAS 7006-77-1) is a chemical compound with molecular formula C21H16N4O8 and molecular weight 452.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(4-methoxyanilino)-3,5-dinitrobenzoyl]amino]benzoic acid
Also Known As: 4-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid, 4-[[4-(4-methoxyanilino)-3,5-dinitrobenzoyl]amino]benzoic acid, 4-[[4-[(4-methoxyphenyl)amino]-3,5-dinitro-benzoyl]amino]benzoic Acid
| Molecular Formula | C21H16N4O8 |
|---|---|
| Molecular Weight | 452.10 g/mol |
| LogP | 4.2057 |
| Topological Polar Surface Area | 173.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 452.0968 |
| Heavy Atoms | 33 |
| Complexity | 1205.1195 |
Chemical Identifiers
| CAS Number | 7006-77-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-] |
Product Overview
4-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid (CAS 7006-77-1), with molecular formula C21H16N4O8 and molecular weight 452.10 g/mol. IUPAC: 4-[[4-(4-methoxyanilino)-3,5-dinitrobenzoyl]amino]benzoic acid.
Chemical Property Profile of 4-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid
Property Insights of 4-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid
The XLogP value of 4.2057 indicates that 4-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.94 Ų indicates high polarity, suggesting 4-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid has 3 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-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid?
The CAS number of 4-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid is 7006-77-1.
What is the molecular formula of 4-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid?
The molecular formula of 4-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid is C21H16N4O8.
What is the molecular weight of 4-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid?
The molecular weight of 4-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid is 452.10 g/mol.
Where can I buy 4-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid?
You can request a quote for 4-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]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-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(4-Methoxyanilino)-3,5-dinitrobenzamido]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.