1,4-Diethyloctyl acetate
TL;DR: 1,4-Diethyloctyl acetate (CAS 94278-38-3) is a chemical compound with molecular formula C14H28O2 and molecular weight 228.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyldecan-3-yl acetate
Also Known As: 1,4-Diethyloctyl acetate, 6-ethyldecan-3-yl acetate, 2-Deacetoxytaxinine J, EINECS 304-728-2, Acetic acid 1,4-diethyloctyl ester
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.21 g/mol |
| LogP | 4.3247 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 177.57416 |
Chemical Identifiers
| CAS Number | 94278-38-3 |
|---|---|
| SMILES | CCCCC(CC)CCC(CC)OC(=O)C |
Product Overview
1,4-Diethyloctyl acetate (CAS 94278-38-3), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: 6-ethyldecan-3-yl acetate.
Chemical Property Profile of 1,4-Diethyloctyl acetate
Property Insights of 1,4-Diethyloctyl acetate
The XLogP value of 4.3247 indicates that 1,4-Diethyloctyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1,4-Diethyloctyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Diethyloctyl acetate has 0 hydrogen bond donor(s) and 2 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 1,4-Diethyloctyl acetate?
The CAS number of 1,4-Diethyloctyl acetate is 94278-38-3.
What is the molecular formula of 1,4-Diethyloctyl acetate?
The molecular formula of 1,4-Diethyloctyl acetate is C14H28O2.
What is the molecular weight of 1,4-Diethyloctyl acetate?
The molecular weight of 1,4-Diethyloctyl acetate is 228.21 g/mol.
Where can I buy 1,4-Diethyloctyl acetate?
You can request a quote for 1,4-Diethyloctyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diethyloctyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diethyloctyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.