Hexenyl isobutanoate, (3Z)-
TL;DR: Hexenyl isobutanoate, (3Z)- (CAS 84682-20-2) 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.
[(Z)-hex-3-enyl] 2-methylpropanoate
Also Known As: cis-3-Hexenyl isobutyrate, 3-Hexenyl isobutyrate, 3-Hexenyl isobutanoate, (Z)-Hex-3-en-1-yl isobutyrate, 3Z-Hexenyl isobutyrate
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.5419 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 147.91757 |
Chemical Identifiers
| CAS Number | 84682-20-2 |
|---|---|
| SMILES | CC/C=C\CCOC(=O)C(C)C |
Product Overview
Hexenyl isobutanoate, (3Z)- (CAS 84682-20-2), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: [(Z)-hex-3-enyl] 2-methylpropanoate.
Chemical Property Profile of Hexenyl isobutanoate, (3Z)-
Property Insights of Hexenyl isobutanoate, (3Z)-
The XLogP value of 2.5419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexenyl isobutanoate, (3Z)-. With a topological polar surface area (TPSA) of 26.3 Ų, Hexenyl isobutanoate, (3Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexenyl isobutanoate, (3Z)- 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 Hexenyl isobutanoate, (3Z)-?
The CAS number of Hexenyl isobutanoate, (3Z)- is 84682-20-2.
What is the molecular formula of Hexenyl isobutanoate, (3Z)-?
The molecular formula of Hexenyl isobutanoate, (3Z)- is C10H18O2.
What is the molecular weight of Hexenyl isobutanoate, (3Z)-?
The molecular weight of Hexenyl isobutanoate, (3Z)- is 170.13 g/mol.
Where can I buy Hexenyl isobutanoate, (3Z)-?
You can request a quote for Hexenyl isobutanoate, (3Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexenyl isobutanoate, (3Z)-?
Yes, KEHONG BIO provides custom synthesis services for Hexenyl isobutanoate, (3Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.