Ethyl 4-pentenoate
TL;DR: Ethyl 4-pentenoate (CAS 1968-40-7) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl pent-4-enoate
Also Known As: Ethyl 4-pentenoate, Ethyl pent-4-enoate, 4-Pentenoic acid ethyl ester, 4-Pentenoic acid, ethyl ester, Ethyl allylacetate
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 97.0 |
| Density | 0.893-0.903 |
| Solubility | Insoluble in water; soluble in propylene glycol |
| Refractive Index | 1.410-1.420 |
Chemical Identifiers
| CAS Number | 1968-40-7 |
|---|---|
| SMILES | CCOC(=O)CCC=C |
| InChIKey | PTVSRINJXWDIKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-pentenoate (CAS 1968-40-7), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: ethyl pent-4-enoate.
Chemical Property Profile of Ethyl 4-pentenoate
Property Insights of Ethyl 4-pentenoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-pentenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 4-pentenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-pentenoate has 0 hydrogen bond donor(s) and 2 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 4-pentenoate?
The CAS number of Ethyl 4-pentenoate is 1968-40-7.
What is the molecular formula of Ethyl 4-pentenoate?
The molecular formula of Ethyl 4-pentenoate is C7H12O2.
What is the molecular weight of Ethyl 4-pentenoate?
The molecular weight of Ethyl 4-pentenoate is 128.08 g/mol.
Where can I buy Ethyl 4-pentenoate?
You can request a quote for Ethyl 4-pentenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-pentenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-pentenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.