(Z)-3-hexen-1-yl pyruvate
TL;DR: (Z)-3-hexen-1-yl pyruvate (CAS 68133-76-6) is a chemical compound with molecular formula C9H14O3 and molecular weight 170.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-3-enyl 2-oxopropanoate
Also Known As: cis-3-Hexenyl pyruvate, (Z)-3-Hexenyl pyruvate, (Z)-Hex-3-enyl pyruvate, hex-3-enyl 2-oxopropanoate, (Z)-3-hexen-1-yl pyruvate
| Molecular Formula | C9H14O3 |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 170.0943 |
| Heavy Atoms | 12 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 68133-76-6 |
|---|---|
| SMILES | CCC=CCCOC(=O)C(=O)C |
| InChIKey | LKNXTZXOBHAYSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Z)-3-hexen-1-yl pyruvate (CAS 68133-76-6), with molecular formula C9H14O3 and molecular weight 170.09 g/mol. IUPAC: hex-3-enyl 2-oxopropanoate.
Chemical Property Profile of (Z)-3-hexen-1-yl pyruvate
Property Insights of (Z)-3-hexen-1-yl pyruvate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-hexen-1-yl pyruvate. With a topological polar surface area (TPSA) of 43.4 Ų, (Z)-3-hexen-1-yl pyruvate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-3-hexen-1-yl pyruvate 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 pyruvate?
The CAS number of (Z)-3-hexen-1-yl pyruvate is 68133-76-6.
What is the molecular formula of (Z)-3-hexen-1-yl pyruvate?
The molecular formula of (Z)-3-hexen-1-yl pyruvate is C9H14O3.
What is the molecular weight of (Z)-3-hexen-1-yl pyruvate?
The molecular weight of (Z)-3-hexen-1-yl pyruvate is 170.09 g/mol.
Where can I buy (Z)-3-hexen-1-yl pyruvate?
You can request a quote for (Z)-3-hexen-1-yl pyruvate 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 pyruvate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-hexen-1-yl pyruvate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.