Ethyl 2-acetyl-5-hexenoate
TL;DR: Ethyl 2-acetyl-5-hexenoate (CAS 42185-42-2) is a chemical compound with molecular formula C10H16O3 and molecular weight 184.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetylhex-5-enoate
Also Known As: ethyl 2-acetyl-5-hexenoate, ethyl 2-acetylhex-5-enoate, Ethyl2-Acetyl-5-hexenoate, 95% +(stabilized with TBC), 2-Acetyl-5-hexenoic acid ethyl ester
| Molecular Formula | C10H16O3 |
|---|---|
| Molecular Weight | 184.11 g/mol |
| LogP | 1.7209 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 184.10994 |
| Heavy Atoms | 13 |
| Complexity | 196.34654 |
Chemical Identifiers
| CAS Number | 42185-42-2 |
|---|---|
| SMILES | CCOC(=O)C(CCC=C)C(=O)C |
Product Overview
Ethyl 2-acetyl-5-hexenoate (CAS 42185-42-2), with molecular formula C10H16O3 and molecular weight 184.11 g/mol. IUPAC: ethyl 2-acetylhex-5-enoate.
Chemical Property Profile of Ethyl 2-acetyl-5-hexenoate
Property Insights of Ethyl 2-acetyl-5-hexenoate
The XLogP value of 1.7209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-acetyl-5-hexenoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 2-acetyl-5-hexenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-acetyl-5-hexenoate 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 2-acetyl-5-hexenoate?
The CAS number of Ethyl 2-acetyl-5-hexenoate is 42185-42-2.
What is the molecular formula of Ethyl 2-acetyl-5-hexenoate?
The molecular formula of Ethyl 2-acetyl-5-hexenoate is C10H16O3.
What is the molecular weight of Ethyl 2-acetyl-5-hexenoate?
The molecular weight of Ethyl 2-acetyl-5-hexenoate is 184.11 g/mol.
Where can I buy Ethyl 2-acetyl-5-hexenoate?
You can request a quote for Ethyl 2-acetyl-5-hexenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-acetyl-5-hexenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetyl-5-hexenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.