(Z)-3-hexen-1-yl levulinate
TL;DR: (Z)-3-hexen-1-yl levulinate (CAS 85554-70-7) is a chemical compound with molecular formula C11H18O3 and molecular weight 198.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-3-enyl 4-oxopentanoate
Also Known As: cis-3-Hexenyl levulinate, (Z)-3-hexen-1-yl levulinate
| Molecular Formula | C11H18O3 |
|---|---|
| Molecular Weight | 198.13 g/mol |
| LogP | 2.2551 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 198.1256 |
| Heavy Atoms | 14 |
| Complexity | 206.57819 |
Chemical Identifiers
| CAS Number | 85554-70-7 |
|---|---|
| SMILES | CCC=CCCOC(=O)CCC(=O)C |
Product Overview
(Z)-3-hexen-1-yl levulinate (CAS 85554-70-7), with molecular formula C11H18O3 and molecular weight 198.13 g/mol. IUPAC: hex-3-enyl 4-oxopentanoate.
Chemical Property Profile of (Z)-3-hexen-1-yl levulinate
Property Insights of (Z)-3-hexen-1-yl levulinate
The XLogP value of 2.2551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-hexen-1-yl levulinate. With a topological polar surface area (TPSA) of 43.37 Ų, (Z)-3-hexen-1-yl levulinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-3-hexen-1-yl levulinate has 0 hydrogen bond donor(s) and 3 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 levulinate?
The CAS number of (Z)-3-hexen-1-yl levulinate is 85554-70-7.
What is the molecular formula of (Z)-3-hexen-1-yl levulinate?
The molecular formula of (Z)-3-hexen-1-yl levulinate is C11H18O3.
What is the molecular weight of (Z)-3-hexen-1-yl levulinate?
The molecular weight of (Z)-3-hexen-1-yl levulinate is 198.13 g/mol.
Where can I buy (Z)-3-hexen-1-yl levulinate?
You can request a quote for (Z)-3-hexen-1-yl levulinate 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 levulinate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-hexen-1-yl levulinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.