Ethyl 4-amino-2-(4-chlorophenyl)butanoate
TL;DR: Ethyl 4-amino-2-(4-chlorophenyl)butanoate (CAS 120418-71-5) is a chemical compound with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-(4-chlorophenyl)butanoate
Also Known As: Ethyl 4-amino-2-(4-chlorophenyl)butanoate, Benzeneacetic acid, alpha-(2-aminoethyl)-4-chloro-, ethyl ester
| Molecular Formula | C12H16ClNO2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 241.08696 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 120418-71-5 |
|---|---|
| SMILES | CCOC(=O)C(CCN)C1=CC=C(C=C1)Cl |
| InChIKey | YKOBTKHVYUTLTE-UHFFFAOYSA-N |
Product Overview
Ethyl 4-amino-2-(4-chlorophenyl)butanoate (CAS 120418-71-5), with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol. IUPAC: ethyl 4-amino-2-(4-chlorophenyl)butanoate.
Chemical Property Profile of Ethyl 4-amino-2-(4-chlorophenyl)butanoate
Property Insights of Ethyl 4-amino-2-(4-chlorophenyl)butanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-amino-2-(4-chlorophenyl)butanoate. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 4-amino-2-(4-chlorophenyl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-amino-2-(4-chlorophenyl)butanoate has 1 hydrogen bond donor(s) and 3 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 Ethyl 4-amino-2-(4-chlorophenyl)butanoate?
The CAS number of Ethyl 4-amino-2-(4-chlorophenyl)butanoate is 120418-71-5.
What is the molecular formula of Ethyl 4-amino-2-(4-chlorophenyl)butanoate?
The molecular formula of Ethyl 4-amino-2-(4-chlorophenyl)butanoate is C12H16ClNO2.
What is the molecular weight of Ethyl 4-amino-2-(4-chlorophenyl)butanoate?
The molecular weight of Ethyl 4-amino-2-(4-chlorophenyl)butanoate is 241.09 g/mol.
Where can I buy Ethyl 4-amino-2-(4-chlorophenyl)butanoate?
You can request a quote for Ethyl 4-amino-2-(4-chlorophenyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-amino-2-(4-chlorophenyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-2-(4-chlorophenyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.