Hex-2-enyl butyrate
TL;DR: Hex-2-enyl butyrate (CAS 53398-83-7) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-2-enyl butanoate
Also Known As: trans-2-Hexenyl butyrate, hex-2-enyl butanoate, hex-2-enyl butyrate, hex-2-en-1-yl butanoate, (E)-2-Hexenyl butyrate
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 53398-83-7 |
|---|---|
| SMILES | CCCC=CCOC(=O)CCC |
| InChIKey | PCGACKLJNBBQGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hex-2-enyl butyrate (CAS 53398-83-7), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: hex-2-enyl butanoate.
Chemical Property Profile of Hex-2-enyl butyrate
Property Insights of Hex-2-enyl butyrate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hex-2-enyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Hex-2-enyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hex-2-enyl butyrate 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 butyrate?
The CAS number of Hex-2-enyl butyrate is 53398-83-7.
What is the molecular formula of Hex-2-enyl butyrate?
The molecular formula of Hex-2-enyl butyrate is C10H18O2.
What is the molecular weight of Hex-2-enyl butyrate?
The molecular weight of Hex-2-enyl butyrate is 170.13 g/mol.
Where can I buy Hex-2-enyl butyrate?
You can request a quote for Hex-2-enyl butyrate 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 butyrate?
Yes, KEHONG BIO provides custom synthesis services for Hex-2-enyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.