![4-(4-{4-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid structure](/static/products/3567/35675-41-3.webp)
4-(4-{4-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid
TL;DR: 4-(4-{4-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid (CAS 35675-41-3) is a chemical compound with molecular formula C21H18N2O6 and molecular weight 394.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[4-[[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]methyl]anilino]-4-oxobut-2-enoic acid
Also Known As: 4-(4-{4-[(3-carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid, (E)-4-[4-[[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]methyl]anilino]-4-oxobut-2-enoic acid, (2E)-4-[4-(4-{[(2E)-3-carboxy-2-propenoyl]amino}benzyl)anilino]-4-oxo-2-butenoic acid, (E)-4-[4-[[4-[[(E)-4-hydroxy-4-oxobut-2-enoyl]amino]phenyl]methyl]anilino]-4-oxobut-2-enoic acid
| Molecular Formula | C21H18N2O6 |
|---|---|
| Molecular Weight | 394.12 g/mol |
| LogP | 2.436 |
| Topological Polar Surface Area | 132.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.1165 |
| Heavy Atoms | 29 |
| Complexity | 880.1708 |
Chemical Identifiers
| CAS Number | 35675-41-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=CC=C(C=C2)NC(=O)/C=C/C(=O)O)NC(=O)/C=C/C(=O)O |
Product Overview
4-(4-{4-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid (CAS 35675-41-3), with molecular formula C21H18N2O6 and molecular weight 394.12 g/mol. IUPAC: (E)-4-[4-[[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]methyl]anilino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(4-{4-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid
Property Insights of 4-(4-{4-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid
The XLogP value of 2.436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-{4-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid. The TPSA of 132.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-{4-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(4-{4-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid has 4 hydrogen bond donor(s) and 4 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-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid?
The CAS number of 4-(4-{4-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid is 35675-41-3.
What is the molecular formula of 4-(4-{4-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid?
The molecular formula of 4-(4-{4-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid is C21H18N2O6.
What is the molecular weight of 4-(4-{4-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid?
The molecular weight of 4-(4-{4-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid is 394.12 g/mol.
Where can I buy 4-(4-{4-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid?
You can request a quote for 4-(4-{4-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic 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-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-{4-[(3-Carboxyacryloyl)amino]benzyl}anilino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.