(Z)-3-hexen-1-yl 2-ethyl butyrate
TL;DR: (Z)-3-hexen-1-yl 2-ethyl butyrate (CAS 94071-12-2) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-3-enyl 2-ethylbutanoate
Also Known As: (Z)-Hex-3-enyl 2-ethylbutyrate, HEX-3-ENYL2-ETHYLBUTYRATE, cis-3-Hexen-1-yl 2-Ethylbutyrate, (Z)-3-hexen-1-yl 2-ethyl butyrate, HEX-3-EN-1-YL 2-ETHYLBUTANOATE
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.3221 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 169.16054 |
Chemical Identifiers
| CAS Number | 94071-12-2 |
|---|---|
| SMILES | CCC=CCCOC(=O)C(CC)CC |
Product Overview
(Z)-3-hexen-1-yl 2-ethyl butyrate (CAS 94071-12-2), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: hex-3-enyl 2-ethylbutanoate.
Chemical Property Profile of (Z)-3-hexen-1-yl 2-ethyl butyrate
Property Insights of (Z)-3-hexen-1-yl 2-ethyl butyrate
The XLogP value of 3.3221 indicates that (Z)-3-hexen-1-yl 2-ethyl butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (Z)-3-hexen-1-yl 2-ethyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-3-hexen-1-yl 2-ethyl 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 (Z)-3-hexen-1-yl 2-ethyl butyrate?
The CAS number of (Z)-3-hexen-1-yl 2-ethyl butyrate is 94071-12-2.
What is the molecular formula of (Z)-3-hexen-1-yl 2-ethyl butyrate?
The molecular formula of (Z)-3-hexen-1-yl 2-ethyl butyrate is C12H22O2.
What is the molecular weight of (Z)-3-hexen-1-yl 2-ethyl butyrate?
The molecular weight of (Z)-3-hexen-1-yl 2-ethyl butyrate is 198.16 g/mol.
Where can I buy (Z)-3-hexen-1-yl 2-ethyl butyrate?
You can request a quote for (Z)-3-hexen-1-yl 2-ethyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-hexen-1-yl 2-ethyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-hexen-1-yl 2-ethyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.