![4-[2-(4-Chlorophenyl)ethylamino]-4-oxobut-2-enoic acid structure](/static/products/6465/646509-07-1.webp)
4-[2-(4-Chlorophenyl)ethylamino]-4-oxobut-2-enoic acid
TL;DR: 4-[2-(4-Chlorophenyl)ethylamino]-4-oxobut-2-enoic acid (CAS 646509-07-1) is a chemical compound with molecular formula C12H12ClNO3 and molecular weight 253.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-chlorophenyl)ethylamino]-4-oxobut-2-enoic acid
Also Known As: 4-[2-(4-chlorophenyl)ethylamino]-4-oxobut-2-enoic acid, 1,1'-Biphenyl,3,3',5,5'-tetrafluoro-4-methyl, 3-[2-(4-chlorophenyl)ethylcarbamoyl]prop-2-enoic Acid, 4-{[2-(4-Chlorophenyl)ethyl]amino}-4-oxobut-2-enoic acid, 2-Butenoic acid, 4-[[2-(4-chlorophenyl)ethyl]amino]-4-oxo-, (2Z)-
| Molecular Formula | C12H12ClNO3 |
|---|---|
| Molecular Weight | 253.05 g/mol |
| LogP | 1.6395 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.05057 |
| Heavy Atoms | 17 |
| Complexity | 425.8818 |
Chemical Identifiers
| CAS Number | 646509-07-1 |
|---|---|
| SMILES | C1=CC(=CC=C1CCNC(=O)C=CC(=O)O)Cl |
Product Overview
4-[2-(4-Chlorophenyl)ethylamino]-4-oxobut-2-enoic acid (CAS 646509-07-1), with molecular formula C12H12ClNO3 and molecular weight 253.05 g/mol. IUPAC: 4-[2-(4-chlorophenyl)ethylamino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[2-(4-Chlorophenyl)ethylamino]-4-oxobut-2-enoic acid
Property Insights of 4-[2-(4-Chlorophenyl)ethylamino]-4-oxobut-2-enoic acid
The XLogP value of 1.6395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(4-Chlorophenyl)ethylamino]-4-oxobut-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(4-Chlorophenyl)ethylamino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-[2-(4-Chlorophenyl)ethylamino]-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 4-[2-(4-Chlorophenyl)ethylamino]-4-oxobut-2-enoic acid?
The CAS number of 4-[2-(4-Chlorophenyl)ethylamino]-4-oxobut-2-enoic acid is 646509-07-1.
What is the molecular formula of 4-[2-(4-Chlorophenyl)ethylamino]-4-oxobut-2-enoic acid?
The molecular formula of 4-[2-(4-Chlorophenyl)ethylamino]-4-oxobut-2-enoic acid is C12H12ClNO3.
What is the molecular weight of 4-[2-(4-Chlorophenyl)ethylamino]-4-oxobut-2-enoic acid?
The molecular weight of 4-[2-(4-Chlorophenyl)ethylamino]-4-oxobut-2-enoic acid is 253.05 g/mol.
Where can I buy 4-[2-(4-Chlorophenyl)ethylamino]-4-oxobut-2-enoic acid?
You can request a quote for 4-[2-(4-Chlorophenyl)ethylamino]-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-[2-(4-Chlorophenyl)ethylamino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(4-Chlorophenyl)ethylamino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.