Ethyl hept-4-enoate
TL;DR: Ethyl hept-4-enoate (CAS 138234-60-3) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl hept-4-enoate
Also Known As: Ethyl (Z)-4-heptenoate, 4-Heptenoic acid, ethyl ester, 4-Heptenoic acid ethyl ester, 4-Heptenoic acid, ethyl ester, (E)-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.11504 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 156.11504 Da |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
| SMILES | CCC=CCCC(=O)OCC |
| InChIKey | GITGIBUELGTBSG-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl hept-4-enoate
Property Insights of Ethyl hept-4-enoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl hept-4-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl hept-4-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl hept-4-enoate 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
What is the CAS number of Ethyl hept-4-enoate?
The CAS number of Ethyl hept-4-enoate is 138234-60-3.
What is the molecular formula of Ethyl hept-4-enoate?
The molecular formula of Ethyl hept-4-enoate is C9H16O2.
What is the molecular weight of Ethyl hept-4-enoate?
The molecular weight of Ethyl hept-4-enoate is 156.11504 g/mol.
Where can I buy Ethyl hept-4-enoate?
You can request a quote for Ethyl hept-4-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl hept-4-enoate?
Yes, CoreyChem provides custom synthesis services for Ethyl hept-4-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.