Ethyl 5-acetoxyoctanoate
TL;DR: Ethyl 5-acetoxyoctanoate (CAS 35234-25-4) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyloxyoctanoate
Also Known As: ethyl 5-acetoxyoctanoate, ethyl 5-acetyloxyoctanoate, Ethyl 5-(acetyloxy)octanoate, Ethyl 5-acetoxy octanoate, FEMA NO. 4443
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 213.0 |
| Density | 0.976-0.982 (20°) |
| Solubility | Soluble in water |
| Refractive Index | 1.427-1.433 |
Chemical Identifiers
| CAS Number | 35234-25-4 |
|---|---|
| SMILES | CCCC(CCCC(=O)OCC)OC(=O)C |
| InChIKey | PZSMEJQENCSIPM-UHFFFAOYSA-N |
Product Overview
Ethyl 5-acetoxyoctanoate (CAS 35234-25-4), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: ethyl 5-acetyloxyoctanoate.
Chemical Property Profile of Ethyl 5-acetoxyoctanoate
Property Insights of Ethyl 5-acetoxyoctanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-acetoxyoctanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 5-acetoxyoctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-acetoxyoctanoate has 0 hydrogen bond donor(s) and 4 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 5-acetoxyoctanoate?
The CAS number of Ethyl 5-acetoxyoctanoate is 35234-25-4.
What is the molecular formula of Ethyl 5-acetoxyoctanoate?
The molecular formula of Ethyl 5-acetoxyoctanoate is C12H22O4.
What is the molecular weight of Ethyl 5-acetoxyoctanoate?
The molecular weight of Ethyl 5-acetoxyoctanoate is 230.15 g/mol.
Where can I buy Ethyl 5-acetoxyoctanoate?
You can request a quote for Ethyl 5-acetoxyoctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-acetoxyoctanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-acetoxyoctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.