Methyl 2-acetyl-2-allylpent-4-ene-1-oate
TL;DR: Methyl 2-acetyl-2-allylpent-4-ene-1-oate (CAS 3666-84-0) is a chemical compound with molecular formula C11H16O3 and molecular weight 196.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetyl-2-prop-2-enylpent-4-enoate
Also Known As: methyl 2-acetyl-2-allylpent-4-enoate, Methyl 2-acetyl-2-allylpent-4-ene-1-oate, 2,2-Diallylacetoacetic acid methyl ester, 4-acetyl-4-carbomethoxy-1,6-heptadiene, methyl 2-acetyl-2-prop-2-enylpent-4-enoate
| Molecular Formula | C11H16O3 |
|---|---|
| Molecular Weight | 196.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 196.10994 |
| Heavy Atoms | 14 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 3666-84-0 |
|---|---|
| SMILES | CC(=O)C(CC=C)(CC=C)C(=O)OC |
| InChIKey | XUTUUQIIEPJMJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-acetyl-2-allylpent-4-ene-1-oate (CAS 3666-84-0), with molecular formula C11H16O3 and molecular weight 196.11 g/mol. IUPAC: methyl 2-acetyl-2-prop-2-enylpent-4-enoate.
Chemical Property Profile of Methyl 2-acetyl-2-allylpent-4-ene-1-oate
Property Insights of Methyl 2-acetyl-2-allylpent-4-ene-1-oate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-acetyl-2-allylpent-4-ene-1-oate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 2-acetyl-2-allylpent-4-ene-1-oate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl 2-acetyl-2-allylpent-4-ene-1-oate?
The CAS number of Methyl 2-acetyl-2-allylpent-4-ene-1-oate is 3666-84-0.
What is the molecular formula of Methyl 2-acetyl-2-allylpent-4-ene-1-oate?
The molecular formula of Methyl 2-acetyl-2-allylpent-4-ene-1-oate is C11H16O3.
What is the molecular weight of Methyl 2-acetyl-2-allylpent-4-ene-1-oate?
The molecular weight of Methyl 2-acetyl-2-allylpent-4-ene-1-oate is 196.11 g/mol.
Where can I buy Methyl 2-acetyl-2-allylpent-4-ene-1-oate?
You can request a quote for Methyl 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 Methyl 2-acetyl-2-allylpent-4-ene-1-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-acetyl-2-allylpent-4-ene-1-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.