![(E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoic acid structure](/static/products/5495/549544-49-2.webp)
(E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoic acid
TL;DR: (E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoic acid (CAS 549544-49-2) is a chemical compound with molecular formula C11H10ClNO3 and molecular weight 239.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoic acid
Also Known As: J2.675.097K, 4-Oxo-4-(4-chlorobenzylamino)-2-butenoic acid, (E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoic acid, 3-[(4-chlorophenyl)methylcarbamoyl]prop-2-enoic Acid, (2E)-4-[(4-chlorobenzyl)amino]-4-oxobut-2-enoic acid
| Molecular Formula | C11H10ClNO3 |
|---|---|
| Molecular Weight | 239.03 g/mol |
| LogP | 1.597 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.03493 |
| Heavy Atoms | 16 |
| Complexity | 411.74277 |
Chemical Identifiers
| CAS Number | 549544-49-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=O)/C=C/C(=O)O)Cl |
Product Overview
(E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoic acid (CAS 549544-49-2), with molecular formula C11H10ClNO3 and molecular weight 239.03 g/mol. IUPAC: (E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoic acid
Property Insights of (E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoic acid
The XLogP value of 1.597 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoic acid has 2 hydrogen bond donor(s) and 2 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 (E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoic acid?
The CAS number of (E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoic acid is 549544-49-2.
What is the molecular formula of (E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoic acid?
The molecular formula of (E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoic acid is C11H10ClNO3.
What is the molecular weight of (E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoic acid?
The molecular weight of (E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoic acid is 239.03 g/mol.
Where can I buy (E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoic acid?
You can request a quote for (E)-4-[(4-chlorophenyl)methylamino]-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 (E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-[(4-chlorophenyl)methylamino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.