![Ethyl 4-[(4-chlorophenyl)amino]butanoate structure](/static/products/820/82049-95-4.png)
Ethyl 4-[(4-chlorophenyl)amino]butanoate
TL;DR: Ethyl 4-[(4-chlorophenyl)amino]butanoate (CAS 82049-95-4) 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-(4-chloroanilino)butanoate
Also Known As: ethyl 4-(4-chloroanilino)butanoate, Ethyl 4-[(4-chlorophenyl)amino]butanoate, ethyl 4-(4-chlorophenylamino)butanoate
| Molecular Formula | C12H16ClNO2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 3.0952 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 241.08696 |
| Heavy Atoms | 16 |
| Complexity | 324.29556 |
Chemical Identifiers
| CAS Number | 82049-95-4 |
|---|---|
| SMILES | CCOC(=O)CCCNC1=CC=C(C=C1)Cl |
Product Overview
Ethyl 4-[(4-chlorophenyl)amino]butanoate (CAS 82049-95-4), with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol. IUPAC: ethyl 4-(4-chloroanilino)butanoate.
Chemical Property Profile of Ethyl 4-[(4-chlorophenyl)amino]butanoate
Property Insights of Ethyl 4-[(4-chlorophenyl)amino]butanoate
The XLogP value of 3.0952 indicates that Ethyl 4-[(4-chlorophenyl)amino]butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Ethyl 4-[(4-chlorophenyl)amino]butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[(4-chlorophenyl)amino]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-[(4-chlorophenyl)amino]butanoate?
The CAS number of Ethyl 4-[(4-chlorophenyl)amino]butanoate is 82049-95-4.
What is the molecular formula of Ethyl 4-[(4-chlorophenyl)amino]butanoate?
The molecular formula of Ethyl 4-[(4-chlorophenyl)amino]butanoate is C12H16ClNO2.
What is the molecular weight of Ethyl 4-[(4-chlorophenyl)amino]butanoate?
The molecular weight of Ethyl 4-[(4-chlorophenyl)amino]butanoate is 241.09 g/mol.
Where can I buy Ethyl 4-[(4-chlorophenyl)amino]butanoate?
You can request a quote for Ethyl 4-[(4-chlorophenyl)amino]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-[(4-chlorophenyl)amino]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(4-chlorophenyl)amino]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.