Ethyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate
TL;DR: Ethyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate (CAS 3509-02-2) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-prop-2-enylpent-4-enoate
Also Known As: ethyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate, ethyl 2-cyano-2-prop-2-enylpent-4-enoate, ethyl alpha,alpha-diallylcyanoacetate, ethyl 2-allyl-2-cyanopent-4-enoate, ethyl 2-allyl-2-cyano-pent-4-enoate
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 3509-02-2 |
|---|---|
| SMILES | CCOC(=O)C(CC=C)(CC=C)C#N |
| InChIKey | HWUFVRPDOFXNCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate (CAS 3509-02-2), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: ethyl 2-cyano-2-prop-2-enylpent-4-enoate.
Chemical Property Profile of Ethyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate
Property Insights of Ethyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-2-(prop-2-en-1-yl)pent-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-cyano-2-(prop-2-en-1-yl)pent-4-enoate?
The CAS number of Ethyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate is 3509-02-2.
What is the molecular formula of Ethyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate?
The molecular formula of Ethyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate is C11H15NO2.
What is the molecular weight of Ethyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate?
The molecular weight of Ethyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate is 193.11 g/mol.
Where can I buy Ethyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate?
You can request a quote for Ethyl 2-cyano-2-(prop-2-en-1-yl)pent-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-cyano-2-(prop-2-en-1-yl)pent-4-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.