Ethyl 2,2-dibenzyl-3-oxobutanoate
TL;DR: Ethyl 2,2-dibenzyl-3-oxobutanoate (CAS 42597-26-2) is a chemical compound with molecular formula C20H22O3 and molecular weight 310.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-dibenzyl-3-oxobutanoate
Also Known As: ethyl 2,2-dibenzyl-3-oxobutanoate, Dibenzylacetessigester, Ethyl-a,a-dibenzylacetoacetate, 2,2-Dibenzylacetoacetic acid ethyl ester, ethyl 2,2-dibenzyl-3-oxobutanoate (en)
| Molecular Formula | C20H22O3 |
|---|---|
| Molecular Weight | 310.16 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 310.1569 |
| Heavy Atoms | 23 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 42597-26-2 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)(CC2=CC=CC=C2)C(=O)C |
| InChIKey | GAEGCFQREIOAKQ-UHFFFAOYSA-N |
Product Overview
Ethyl 2,2-dibenzyl-3-oxobutanoate (CAS 42597-26-2), with molecular formula C20H22O3 and molecular weight 310.16 g/mol. IUPAC: ethyl 2,2-dibenzyl-3-oxobutanoate.
Chemical Property Profile of Ethyl 2,2-dibenzyl-3-oxobutanoate
Property Insights of Ethyl 2,2-dibenzyl-3-oxobutanoate
The XLogP value of 4.1 indicates that Ethyl 2,2-dibenzyl-3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2,2-dibenzyl-3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,2-dibenzyl-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-dibenzyl-3-oxobutanoate?
The CAS number of Ethyl 2,2-dibenzyl-3-oxobutanoate is 42597-26-2.
What is the molecular formula of Ethyl 2,2-dibenzyl-3-oxobutanoate?
The molecular formula of Ethyl 2,2-dibenzyl-3-oxobutanoate is C20H22O3.
What is the molecular weight of Ethyl 2,2-dibenzyl-3-oxobutanoate?
The molecular weight of Ethyl 2,2-dibenzyl-3-oxobutanoate is 310.16 g/mol.
Where can I buy Ethyl 2,2-dibenzyl-3-oxobutanoate?
You can request a quote for Ethyl 2,2-dibenzyl-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-dibenzyl-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2-dibenzyl-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.