Hex-2-enyl propanoate
TL;DR: Hex-2-enyl propanoate (CAS 53398-80-4) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-2-enyl propanoate
Also Known As: hex-2-enyl propanoate, 2-Hexenyl propanoate, trans-2-Hexenyl propionate, 2-hexen-1-ol propanoate, (E)-2-Hexenyl propionate
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 53398-80-4 |
|---|---|
| SMILES | CCCC=CCOC(=O)CC |
| InChIKey | LPWKTEHEFDVAQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hex-2-enyl propanoate (CAS 53398-80-4), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: hex-2-enyl propanoate.
Chemical Property Profile of Hex-2-enyl propanoate
Property Insights of Hex-2-enyl propanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hex-2-enyl propanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Hex-2-enyl propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hex-2-enyl propanoate 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 Hex-2-enyl propanoate?
The CAS number of Hex-2-enyl propanoate is 53398-80-4.
What is the molecular formula of Hex-2-enyl propanoate?
The molecular formula of Hex-2-enyl propanoate is C9H16O2.
What is the molecular weight of Hex-2-enyl propanoate?
The molecular weight of Hex-2-enyl propanoate is 156.12 g/mol.
Where can I buy Hex-2-enyl propanoate?
You can request a quote for Hex-2-enyl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hex-2-enyl propanoate?
Yes, KEHONG BIO provides custom synthesis services for Hex-2-enyl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.