Ethyl 3-(acetyloxy)octanoate
TL;DR: Ethyl 3-(acetyloxy)octanoate (CAS 86993-48-8) 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 3-acetyloxyoctanoate
Also Known As: ethyl 3-acetoxyoctanoate, ethyl 3-acetyloxyoctanoate, ethyl3- octanoate, Ethyl 3-(acetoxy)octanoate, ethyl3-acetoxyoctanoate
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 2.7 |
| 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 |
Chemical Identifiers
| CAS Number | 86993-48-8 |
|---|---|
| SMILES | CCCCCC(CC(=O)OCC)OC(=O)C |
| InChIKey | AYGKSMFCRAQKPK-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(acetyloxy)octanoate (CAS 86993-48-8), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: ethyl 3-acetyloxyoctanoate.
Chemical Property Profile of Ethyl 3-(acetyloxy)octanoate
Property Insights of Ethyl 3-(acetyloxy)octanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(acetyloxy)octanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 3-(acetyloxy)octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(acetyloxy)octanoate 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 3-(acetyloxy)octanoate?
The CAS number of Ethyl 3-(acetyloxy)octanoate is 86993-48-8.
What is the molecular formula of Ethyl 3-(acetyloxy)octanoate?
The molecular formula of Ethyl 3-(acetyloxy)octanoate is C12H22O4.
What is the molecular weight of Ethyl 3-(acetyloxy)octanoate?
The molecular weight of Ethyl 3-(acetyloxy)octanoate is 230.15 g/mol.
Where can I buy Ethyl 3-(acetyloxy)octanoate?
You can request a quote for Ethyl 3-(acetyloxy)octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(acetyloxy)octanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(acetyloxy)octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.