![4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid structure](/static/products/5875/5875-98-9.webp)
4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid
TL;DR: 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid (CAS 5875-98-9) 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.
4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid
Also Known As: BIM-0013872.P001, 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid, 4-{[2-(benzoylamino)-3-(3-nitrophenyl)acryloyl]amino}benzoic acid, 4-[(2Z)-2-Benzamido-3-(3-nitrophenyl)prop-2-enamido]benzoic acid
| Molecular Formula | C23H17N3O6 |
|---|---|
| Molecular Weight | 431.11 g/mol |
| LogP | 3.7026 |
| 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 | 1203.9161 |
Chemical Identifiers
| CAS Number | 5875-98-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid (CAS 5875-98-9), with molecular formula C23H17N3O6 and molecular weight 431.11 g/mol. IUPAC: 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid.
Chemical Property Profile of 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid
Property Insights of 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid
The XLogP value of 3.7026 indicates that 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]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 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid. Following Lipinski's Rule of Five, 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]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 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid?
The CAS number of 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid is 5875-98-9.
What is the molecular formula of 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid?
The molecular formula of 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid is C23H17N3O6.
What is the molecular weight of 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid?
The molecular weight of 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid is 431.11 g/mol.
Where can I buy 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid?
You can request a quote for 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]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 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.