3,5-Bis-(4-nitro-benzoylamino)-benzoic acid
TL;DR: 3,5-Bis-(4-nitro-benzoylamino)-benzoic acid (CAS 302927-74-8) is a chemical compound with molecular formula C21H14N4O8 and molecular weight 450.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis[(4-nitrobenzoyl)amino]benzoic acid
Also Known As: BAS 00132894, 3,5-Bis-(4-nitro-benzoylamino)-benzoic acid, 3,5-bis[(4-nitrobenzoyl)amino]benzoic acid, 3,5-BIS(4-NITROBENZAMIDO)BENZOIC ACID, 3,5-bis[(4-nitrophenyl)carbonylamino]benzoic acid
| Molecular Formula | C21H14N4O8 |
|---|---|
| Molecular Weight | 450.08 g/mol |
| LogP | 3.7058 |
| Topological Polar Surface Area | 181.78 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.08118 |
| Heavy Atoms | 33 |
| Complexity | 1180.6771 |
Chemical Identifiers
| CAS Number | 302927-74-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3,5-Bis-(4-nitro-benzoylamino)-benzoic acid (CAS 302927-74-8), with molecular formula C21H14N4O8 and molecular weight 450.08 g/mol. IUPAC: 3,5-bis[(4-nitrobenzoyl)amino]benzoic acid.
Chemical Property Profile of 3,5-Bis-(4-nitro-benzoylamino)-benzoic acid
Property Insights of 3,5-Bis-(4-nitro-benzoylamino)-benzoic acid
The XLogP value of 3.7058 indicates that 3,5-Bis-(4-nitro-benzoylamino)-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.78 Ų indicates high polarity, suggesting 3,5-Bis-(4-nitro-benzoylamino)-benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Bis-(4-nitro-benzoylamino)-benzoic acid has 3 hydrogen bond donor(s) and 7 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 3,5-Bis-(4-nitro-benzoylamino)-benzoic acid?
The CAS number of 3,5-Bis-(4-nitro-benzoylamino)-benzoic acid is 302927-74-8.
What is the molecular formula of 3,5-Bis-(4-nitro-benzoylamino)-benzoic acid?
The molecular formula of 3,5-Bis-(4-nitro-benzoylamino)-benzoic acid is C21H14N4O8.
What is the molecular weight of 3,5-Bis-(4-nitro-benzoylamino)-benzoic acid?
The molecular weight of 3,5-Bis-(4-nitro-benzoylamino)-benzoic acid is 450.08 g/mol.
Where can I buy 3,5-Bis-(4-nitro-benzoylamino)-benzoic acid?
You can request a quote for 3,5-Bis-(4-nitro-benzoylamino)-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis-(4-nitro-benzoylamino)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis-(4-nitro-benzoylamino)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.