Ethyl alpha-butyl-alpha-(4-chlorophenyl)benzenepropanoate
TL;DR: Ethyl alpha-butyl-alpha-(4-chlorophenyl)benzenepropanoate (CAS 2901-20-4) is a chemical compound with molecular formula C21H25ClO2 and molecular weight 344.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzyl-2-(4-chlorophenyl)hexanoate
Also Known As: Hexanoic acid, ethyl ester, ethyl2-benzyl-2- hexanoate, NCIOpen2_009408, ethyl 2-benzyl-2-(4-chlorophenyl)hexanoate, 2-Benzyl-2-(p-chlorophenyl)hexanoic acid ethyl ester
| Molecular Formula | C21H25ClO2 |
|---|---|
| Molecular Weight | 344.15 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 344.1543 |
| Heavy Atoms | 24 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 2901-20-4 |
|---|---|
| SMILES | CCCCC(CC1=CC=CC=C1)(C2=CC=C(C=C2)Cl)C(=O)OCC |
| InChIKey | APANIFBWNHZMSZ-UHFFFAOYSA-N |
Product Overview
Ethyl alpha-butyl-alpha-(4-chlorophenyl)benzenepropanoate (CAS 2901-20-4), with molecular formula C21H25ClO2 and molecular weight 344.15 g/mol. IUPAC: ethyl 2-benzyl-2-(4-chlorophenyl)hexanoate.
Chemical Property Profile of Ethyl alpha-butyl-alpha-(4-chlorophenyl)benzenepropanoate
Property Insights of Ethyl alpha-butyl-alpha-(4-chlorophenyl)benzenepropanoate
The XLogP value of 6.5 indicates that Ethyl alpha-butyl-alpha-(4-chlorophenyl)benzenepropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl alpha-butyl-alpha-(4-chlorophenyl)benzenepropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl alpha-butyl-alpha-(4-chlorophenyl)benzenepropanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl alpha-butyl-alpha-(4-chlorophenyl)benzenepropanoate?
The CAS number of Ethyl alpha-butyl-alpha-(4-chlorophenyl)benzenepropanoate is 2901-20-4.
What is the molecular formula of Ethyl alpha-butyl-alpha-(4-chlorophenyl)benzenepropanoate?
The molecular formula of Ethyl alpha-butyl-alpha-(4-chlorophenyl)benzenepropanoate is C21H25ClO2.
What is the molecular weight of Ethyl alpha-butyl-alpha-(4-chlorophenyl)benzenepropanoate?
The molecular weight of Ethyl alpha-butyl-alpha-(4-chlorophenyl)benzenepropanoate is 344.15 g/mol.
Where can I buy Ethyl alpha-butyl-alpha-(4-chlorophenyl)benzenepropanoate?
You can request a quote for Ethyl alpha-butyl-alpha-(4-chlorophenyl)benzenepropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl alpha-butyl-alpha-(4-chlorophenyl)benzenepropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl alpha-butyl-alpha-(4-chlorophenyl)benzenepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.