![3-{2-[(2E)-3-(4-Nitrophenyl)prop-2-enamido]benzamido}benzoic acid structure](/static/products/6088/6088-54-6.webp)
3-{2-[(2E)-3-(4-Nitrophenyl)prop-2-enamido]benzamido}benzoic acid
TL;DR: 3-{2-[(2E)-3-(4-Nitrophenyl)prop-2-enamido]benzamido}benzoic acid (CAS 6088-54-6) 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.
3-[[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoyl]amino]benzoic acid
Also Known As: BIM-0010824.P001, 3-{2-[(2E)-3-(4-NITROPHENYL)PROP-2-ENAMIDO]BENZAMIDO}BENZOIC ACID, 3-[[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoyl]amino]benzoic acid, 3-{[(2-{[(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 | 6088-54-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=CC=CC(=C2)C(=O)O)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-{2-[(2E)-3-(4-Nitrophenyl)prop-2-enamido]benzamido}benzoic acid (CAS 6088-54-6), with molecular formula C23H17N3O6 and molecular weight 431.11 g/mol. IUPAC: 3-[[2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoyl]amino]benzoic acid.
Chemical Property Profile of 3-{2-[(2E)-3-(4-Nitrophenyl)prop-2-enamido]benzamido}benzoic acid
Property Insights of 3-{2-[(2E)-3-(4-Nitrophenyl)prop-2-enamido]benzamido}benzoic acid
The XLogP value of 4.1972 indicates that 3-{2-[(2E)-3-(4-Nitrophenyl)prop-2-enamido]benzamido}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 3-{2-[(2E)-3-(4-Nitrophenyl)prop-2-enamido]benzamido}benzoic acid. Following Lipinski's Rule of Five, 3-{2-[(2E)-3-(4-Nitrophenyl)prop-2-enamido]benzamido}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 3-{2-[(2E)-3-(4-Nitrophenyl)prop-2-enamido]benzamido}benzoic acid?
The CAS number of 3-{2-[(2E)-3-(4-Nitrophenyl)prop-2-enamido]benzamido}benzoic acid is 6088-54-6.
What is the molecular formula of 3-{2-[(2E)-3-(4-Nitrophenyl)prop-2-enamido]benzamido}benzoic acid?
The molecular formula of 3-{2-[(2E)-3-(4-Nitrophenyl)prop-2-enamido]benzamido}benzoic acid is C23H17N3O6.
What is the molecular weight of 3-{2-[(2E)-3-(4-Nitrophenyl)prop-2-enamido]benzamido}benzoic acid?
The molecular weight of 3-{2-[(2E)-3-(4-Nitrophenyl)prop-2-enamido]benzamido}benzoic acid is 431.11 g/mol.
Where can I buy 3-{2-[(2E)-3-(4-Nitrophenyl)prop-2-enamido]benzamido}benzoic acid?
You can request a quote for 3-{2-[(2E)-3-(4-Nitrophenyl)prop-2-enamido]benzamido}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-{2-[(2E)-3-(4-Nitrophenyl)prop-2-enamido]benzamido}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{2-[(2E)-3-(4-Nitrophenyl)prop-2-enamido]benzamido}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.