Ethyl 2,2-bis(4-chlorobenzyl)-3-oxobutanoate
TL;DR: Ethyl 2,2-bis(4-chlorobenzyl)-3-oxobutanoate (CAS 866040-55-3) is a chemical compound with molecular formula C20H20Cl2O3 and molecular weight 378.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-bis[(4-chlorophenyl)methyl]-3-oxobutanoate
Also Known As: ethyl 2,2-bis(4-chlorobenzyl)-3-oxobutanoate, ethyl 2,2-bis[(4-chlorophenyl)methyl]-3-oxobutanoate, ethyl2,2-bis[(4-chlorophenyl)methyl]-3-oxobutanoate, ethyl 2,2-bis[(4-chlorophenyl)methyl]-3-oxo-butanoate, C20H20Cl2O3
| Molecular Formula | C20H20Cl2O3 |
|---|---|
| Molecular Weight | 378.08 g/mol |
| LogP | 4.9171 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 378.07895 |
| Heavy Atoms | 25 |
| Complexity | 689.0415 |
Chemical Identifiers
| CAS Number | 866040-55-3 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)Cl)(CC2=CC=C(C=C2)Cl)C(=O)C |
Product Overview
Ethyl 2,2-bis(4-chlorobenzyl)-3-oxobutanoate (CAS 866040-55-3), with molecular formula C20H20Cl2O3 and molecular weight 378.08 g/mol. IUPAC: ethyl 2,2-bis[(4-chlorophenyl)methyl]-3-oxobutanoate.
Chemical Property Profile of Ethyl 2,2-bis(4-chlorobenzyl)-3-oxobutanoate
Property Insights of Ethyl 2,2-bis(4-chlorobenzyl)-3-oxobutanoate
The XLogP value of 4.9171 indicates that Ethyl 2,2-bis(4-chlorobenzyl)-3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 2,2-bis(4-chlorobenzyl)-3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,2-bis(4-chlorobenzyl)-3-oxobutanoate has 0 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 2,2-bis(4-chlorobenzyl)-3-oxobutanoate?
The CAS number of Ethyl 2,2-bis(4-chlorobenzyl)-3-oxobutanoate is 866040-55-3.
What is the molecular formula of Ethyl 2,2-bis(4-chlorobenzyl)-3-oxobutanoate?
The molecular formula of Ethyl 2,2-bis(4-chlorobenzyl)-3-oxobutanoate is C20H20Cl2O3.
What is the molecular weight of Ethyl 2,2-bis(4-chlorobenzyl)-3-oxobutanoate?
The molecular weight of Ethyl 2,2-bis(4-chlorobenzyl)-3-oxobutanoate is 378.08 g/mol.
Where can I buy Ethyl 2,2-bis(4-chlorobenzyl)-3-oxobutanoate?
You can request a quote for Ethyl 2,2-bis(4-chlorobenzyl)-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,2-bis(4-chlorobenzyl)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2-bis(4-chlorobenzyl)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.