![4-{[2-(3-Chlorophenyl)ethyl]amino}-4-oxobutanoic acid structure](/static/products/242/242134-67-4.png)
4-{[2-(3-Chlorophenyl)ethyl]amino}-4-oxobutanoic acid
TL;DR: 4-{[2-(3-Chlorophenyl)ethyl]amino}-4-oxobutanoic acid (CAS 242134-67-4) is a chemical compound with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoic acid
Also Known As: 4-{[2-(3-chlorophenyl)ethyl]amino}-4-oxobutanoic acid, 3-[2-(3-chlorophenyl)ethylcarbamoyl]propanoic Acid, 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoic acid, 3-{N-[2-(3-chlorophenyl)ethyl]carbamoyl}propanoic acid, butanoic acid, 4-[[2-(3-chlorophenyl)ethyl]amino]-4-oxo-
| Molecular Formula | C12H14ClNO3 |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 1.8635 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 255.06622 |
| Heavy Atoms | 17 |
| Complexity | 406.49216 |
Chemical Identifiers
| CAS Number | 242134-67-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CCNC(=O)CCC(=O)O |
Product Overview
4-{[2-(3-Chlorophenyl)ethyl]amino}-4-oxobutanoic acid (CAS 242134-67-4), with molecular formula C12H14ClNO3 and molecular weight 255.07 g/mol. IUPAC: 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoic acid.
Chemical Property Profile of 4-{[2-(3-Chlorophenyl)ethyl]amino}-4-oxobutanoic acid
Property Insights of 4-{[2-(3-Chlorophenyl)ethyl]amino}-4-oxobutanoic acid
The XLogP value of 1.8635 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[2-(3-Chlorophenyl)ethyl]amino}-4-oxobutanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[2-(3-Chlorophenyl)ethyl]amino}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-{[2-(3-Chlorophenyl)ethyl]amino}-4-oxobutanoic 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-(3-Chlorophenyl)ethyl]amino}-4-oxobutanoic acid?
The CAS number of 4-{[2-(3-Chlorophenyl)ethyl]amino}-4-oxobutanoic acid is 242134-67-4.
What is the molecular formula of 4-{[2-(3-Chlorophenyl)ethyl]amino}-4-oxobutanoic acid?
The molecular formula of 4-{[2-(3-Chlorophenyl)ethyl]amino}-4-oxobutanoic acid is C12H14ClNO3.
What is the molecular weight of 4-{[2-(3-Chlorophenyl)ethyl]amino}-4-oxobutanoic acid?
The molecular weight of 4-{[2-(3-Chlorophenyl)ethyl]amino}-4-oxobutanoic acid is 255.07 g/mol.
Where can I buy 4-{[2-(3-Chlorophenyl)ethyl]amino}-4-oxobutanoic acid?
You can request a quote for 4-{[2-(3-Chlorophenyl)ethyl]amino}-4-oxobutanoic 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-(3-Chlorophenyl)ethyl]amino}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[2-(3-Chlorophenyl)ethyl]amino}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.