Ethyl 2-acetylhex-4-enoate
TL;DR: Ethyl 2-acetylhex-4-enoate (CAS 113984-49-9) 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-4-enoate
Also Known As: ethyl 2-acetylhex-4-enoate, 4-Hexenoic acid,2-acetyl-, ethyl ester, 4-Hexenoic acid, 2-acetyl-, ethyl ester, (E)-, 4-Hexenoic acid, 2-acetyl-, ethyl ester, (Z)-
| Molecular Formula | C10H16O3 |
|---|---|
| Molecular Weight | 184.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 184.10994 |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 113984-49-9 |
|---|---|
| SMILES | CCOC(=O)C(CC=CC)C(=O)C |
| InChIKey | ODKLJRKSCHDRIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-acetylhex-4-enoate (CAS 113984-49-9), with molecular formula C10H16O3 and molecular weight 184.11 g/mol. IUPAC: ethyl 2-acetylhex-4-enoate.
Chemical Property Profile of Ethyl 2-acetylhex-4-enoate
Property Insights of Ethyl 2-acetylhex-4-enoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-acetylhex-4-enoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-acetylhex-4-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-acetylhex-4-enoate 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-acetylhex-4-enoate?
The CAS number of Ethyl 2-acetylhex-4-enoate is 113984-49-9.
What is the molecular formula of Ethyl 2-acetylhex-4-enoate?
The molecular formula of Ethyl 2-acetylhex-4-enoate is C10H16O3.
What is the molecular weight of Ethyl 2-acetylhex-4-enoate?
The molecular weight of Ethyl 2-acetylhex-4-enoate is 184.11 g/mol.
Where can I buy Ethyl 2-acetylhex-4-enoate?
You can request a quote for Ethyl 2-acetylhex-4-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-acetylhex-4-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetylhex-4-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.