Ethyl 2-acetyl-2-allylpent-4-ene-1-oate
TL;DR: Ethyl 2-acetyl-2-allylpent-4-ene-1-oate (CAS 3508-77-8) is a chemical compound with molecular formula C12H18O3 and molecular weight 210.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyl-2-prop-2-enylpent-4-enoate
Also Known As: Ethyl 2-acetyl-2-allylpent-4-ene-1-oate, ethyl 2-acetyl-2-allylpent-4-enoate, ethyl 2-acetyl-2-prop-2-enylpent-4-enoate, Ethyl 2-acetyl-2-allyl-4-pentenoate, AI3-30529
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 3508-77-8 |
|---|---|
| SMILES | CCOC(=O)C(CC=C)(CC=C)C(=O)C |
| InChIKey | IOZNORWPBHWYBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-acetyl-2-allylpent-4-ene-1-oate (CAS 3508-77-8), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: ethyl 2-acetyl-2-prop-2-enylpent-4-enoate.
Chemical Property Profile of Ethyl 2-acetyl-2-allylpent-4-ene-1-oate
Property Insights of Ethyl 2-acetyl-2-allylpent-4-ene-1-oate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-acetyl-2-allylpent-4-ene-1-oate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-acetyl-2-allylpent-4-ene-1-oate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-acetyl-2-allylpent-4-ene-1-oate 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-2-allylpent-4-ene-1-oate?
The CAS number of Ethyl 2-acetyl-2-allylpent-4-ene-1-oate is 3508-77-8.
What is the molecular formula of Ethyl 2-acetyl-2-allylpent-4-ene-1-oate?
The molecular formula of Ethyl 2-acetyl-2-allylpent-4-ene-1-oate is C12H18O3.
What is the molecular weight of Ethyl 2-acetyl-2-allylpent-4-ene-1-oate?
The molecular weight of Ethyl 2-acetyl-2-allylpent-4-ene-1-oate is 210.13 g/mol.
Where can I buy Ethyl 2-acetyl-2-allylpent-4-ene-1-oate?
You can request a quote for Ethyl 2-acetyl-2-allylpent-4-ene-1-oate 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-2-allylpent-4-ene-1-oate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetyl-2-allylpent-4-ene-1-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.