(Z)-hex-3-enyl isobutyrate
TL;DR: (Z)-hex-3-enyl isobutyrate (CAS 41519-23-7) 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-3-enyl 2-methylpropanoate
Also Known As: cis-3-Hexenyl isobutyrate, Hex-3-enyl isobutyrate, Cis-3-hexenylester, 3-Hexenyl isobutyrate, 3-Hexenyl isobutanoate
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 41519-23-7 |
|---|---|
| SMILES | CCC=CCCOC(=O)C(C)C |
| InChIKey | OSMAJVWUIUORGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Z)-hex-3-enyl isobutyrate (CAS 41519-23-7), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: hex-3-enyl 2-methylpropanoate.
Chemical Property Profile of (Z)-hex-3-enyl isobutyrate
Property Insights of (Z)-hex-3-enyl isobutyrate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-hex-3-enyl isobutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, (Z)-hex-3-enyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-hex-3-enyl isobutyrate 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 (Z)-hex-3-enyl isobutyrate?
The CAS number of (Z)-hex-3-enyl isobutyrate is 41519-23-7.
What is the molecular formula of (Z)-hex-3-enyl isobutyrate?
The molecular formula of (Z)-hex-3-enyl isobutyrate is C10H18O2.
What is the molecular weight of (Z)-hex-3-enyl isobutyrate?
The molecular weight of (Z)-hex-3-enyl isobutyrate is 170.13 g/mol.
Where can I buy (Z)-hex-3-enyl isobutyrate?
You can request a quote for (Z)-hex-3-enyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-hex-3-enyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-hex-3-enyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.