![2-[(3-{[3-(4-Nitrophenyl)acryloyl]amino}benzoyl)amino]benzoic acid structure](/static/products/4284/428456-42-2.webp)
2-[(3-{[3-(4-Nitrophenyl)acryloyl]amino}benzoyl)amino]benzoic acid
TL;DR: 2-[(3-{[3-(4-Nitrophenyl)acryloyl]amino}benzoyl)amino]benzoic acid (CAS 428456-42-2) is a chemical compound with molecular formula C23H17N3O6 and molecular weight 431.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoyl]amino]benzoic acid
Also Known As: (E)-2-(3-(3-(4-nitrophenyl)acrylamido)benzamido)benzoic acid, 2-[(3-{[3-(4-nitrophenyl)acryloyl]amino}benzoyl)amino]benzoic acid, 2-[[3-[3-(4-nitrophenyl)prop-2-enoylamino]benzoyl]amino]benzoic Acid, 2-[[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoyl]amino]benzoic acid, 2-{[(3-{[(2E)-3-(4-nitrophenyl)prop-2-enoyl]amino}phenyl)carbonyl]amino}benzoic acid
| Molecular Formula | C23H17N3O6 |
|---|---|
| Molecular Weight | 431.11 g/mol |
| LogP | 4.1972 |
| Topological Polar Surface Area | 138.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.11172 |
| Heavy Atoms | 32 |
| Complexity | 1218.4113 |
Chemical Identifiers
| CAS Number | 428456-42-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-[(3-{[3-(4-Nitrophenyl)acryloyl]amino}benzoyl)amino]benzoic acid (CAS 428456-42-2), with molecular formula C23H17N3O6 and molecular weight 431.11 g/mol. IUPAC: 2-[[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoyl]amino]benzoic acid.
Chemical Property Profile of 2-[(3-{[3-(4-Nitrophenyl)acryloyl]amino}benzoyl)amino]benzoic acid
Property Insights of 2-[(3-{[3-(4-Nitrophenyl)acryloyl]amino}benzoyl)amino]benzoic acid
The XLogP value of 4.1972 indicates that 2-[(3-{[3-(4-Nitrophenyl)acryloyl]amino}benzoyl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-{[3-(4-Nitrophenyl)acryloyl]amino}benzoyl)amino]benzoic acid. Following Lipinski's Rule of Five, 2-[(3-{[3-(4-Nitrophenyl)acryloyl]amino}benzoyl)amino]benzoic acid has 3 hydrogen bond donor(s) and 5 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 2-[(3-{[3-(4-Nitrophenyl)acryloyl]amino}benzoyl)amino]benzoic acid?
The CAS number of 2-[(3-{[3-(4-Nitrophenyl)acryloyl]amino}benzoyl)amino]benzoic acid is 428456-42-2.
What is the molecular formula of 2-[(3-{[3-(4-Nitrophenyl)acryloyl]amino}benzoyl)amino]benzoic acid?
The molecular formula of 2-[(3-{[3-(4-Nitrophenyl)acryloyl]amino}benzoyl)amino]benzoic acid is C23H17N3O6.
What is the molecular weight of 2-[(3-{[3-(4-Nitrophenyl)acryloyl]amino}benzoyl)amino]benzoic acid?
The molecular weight of 2-[(3-{[3-(4-Nitrophenyl)acryloyl]amino}benzoyl)amino]benzoic acid is 431.11 g/mol.
Where can I buy 2-[(3-{[3-(4-Nitrophenyl)acryloyl]amino}benzoyl)amino]benzoic acid?
You can request a quote for 2-[(3-{[3-(4-Nitrophenyl)acryloyl]amino}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 2-[(3-{[3-(4-Nitrophenyl)acryloyl]amino}benzoyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-{[3-(4-Nitrophenyl)acryloyl]amino}benzoyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.