Ethyl 8-(acetoxy)octanoate
TL;DR: Ethyl 8-(acetoxy)octanoate (CAS 93919-03-0) 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 8-acetyloxyoctanoate
Also Known As: Ethyl 8-(acetoxy)octanoate, ethyl 8-acetyloxyoctanoate, EINECS 299-986-5, ETHYL 8-(ACETYLOXY)OCTANOATE, Octanoic acid, 8-(acetyloxy)-, ethyl ester
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 2.4532 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 201.19543 |
Chemical Identifiers
| CAS Number | 93919-03-0 |
|---|---|
| SMILES | CCOC(=O)CCCCCCCOC(=O)C |
Product Overview
Ethyl 8-(acetoxy)octanoate (CAS 93919-03-0), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: ethyl 8-acetyloxyoctanoate.
Chemical Property Profile of Ethyl 8-(acetoxy)octanoate
Property Insights of Ethyl 8-(acetoxy)octanoate
The XLogP value of 2.4532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 8-(acetoxy)octanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl 8-(acetoxy)octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 8-(acetoxy)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 8-(acetoxy)octanoate?
The CAS number of Ethyl 8-(acetoxy)octanoate is 93919-03-0.
What is the molecular formula of Ethyl 8-(acetoxy)octanoate?
The molecular formula of Ethyl 8-(acetoxy)octanoate is C12H22O4.
What is the molecular weight of Ethyl 8-(acetoxy)octanoate?
The molecular weight of Ethyl 8-(acetoxy)octanoate is 230.15 g/mol.
Where can I buy Ethyl 8-(acetoxy)octanoate?
You can request a quote for Ethyl 8-(acetoxy)octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 8-(acetoxy)octanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 8-(acetoxy)octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.