Ethyl 4-(4-hexylphenyl)-4-oxobutyrate
TL;DR: Ethyl 4-(4-hexylphenyl)-4-oxobutyrate (CAS 312943-18-3) is a chemical compound with molecular formula C18H26O3 and molecular weight 290.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-hexylphenyl)-4-oxobutanoate
Also Known As: ETHYL 4-(4-HEXYLPHENYL)-4-OXOBUTYRATE, ethyl 4-(4-hexylphenyl)-4-oxobutanoate, ETHYL4- -4-OXOBUTYRATE, ethyl 4-(4-hexylphenyl)-4-oxo-butanoate, ETHYL4-(4-HEXYLPHENYL)-4-OXOBUTYRATE
| Molecular Formula | C18H26O3 |
|---|---|
| Molecular Weight | 290.19 g/mol |
| LogP | 4.3354 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 290.1882 |
| Heavy Atoms | 21 |
| Complexity | 434.2816 |
Chemical Identifiers
| CAS Number | 312943-18-3 |
|---|---|
| SMILES | CCCCCCC1=CC=C(C=C1)C(=O)CCC(=O)OCC |
Product Overview
Ethyl 4-(4-hexylphenyl)-4-oxobutyrate (CAS 312943-18-3), with molecular formula C18H26O3 and molecular weight 290.19 g/mol. IUPAC: ethyl 4-(4-hexylphenyl)-4-oxobutanoate.
Chemical Property Profile of Ethyl 4-(4-hexylphenyl)-4-oxobutyrate
Property Insights of Ethyl 4-(4-hexylphenyl)-4-oxobutyrate
The XLogP value of 4.3354 indicates that Ethyl 4-(4-hexylphenyl)-4-oxobutyrate 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 4-(4-hexylphenyl)-4-oxobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(4-hexylphenyl)-4-oxobutyrate 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 4-(4-hexylphenyl)-4-oxobutyrate?
The CAS number of Ethyl 4-(4-hexylphenyl)-4-oxobutyrate is 312943-18-3.
What is the molecular formula of Ethyl 4-(4-hexylphenyl)-4-oxobutyrate?
The molecular formula of Ethyl 4-(4-hexylphenyl)-4-oxobutyrate is C18H26O3.
What is the molecular weight of Ethyl 4-(4-hexylphenyl)-4-oxobutyrate?
The molecular weight of Ethyl 4-(4-hexylphenyl)-4-oxobutyrate is 290.19 g/mol.
Where can I buy Ethyl 4-(4-hexylphenyl)-4-oxobutyrate?
You can request a quote for Ethyl 4-(4-hexylphenyl)-4-oxobutyrate 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-hexylphenyl)-4-oxobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-hexylphenyl)-4-oxobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.