3-己烯酸(3Z)-3-己烯酯
TL;DR: 3-己烯酸(3Z)-3-己烯酯 (CAS 61444-38-0) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-己烯酸(3Z)-3-己烯酯
hex-3-enyl hex-3-enoate
Also Known As: hex-3-enyl hex-3-enoate, cis-3-Hexenyl cis-3-hexenoate, FEMA No. 3689, HEX-3Z-enyl HEX-3Z-enoate, hex-3-en-1-yl hex-3-enoate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 61444-38-0 |
|---|---|
| SMILES | CCC=CCCOC(=O)CC=CCC |
| InChIKey | UZJQQWFHPLYECS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-己烯酸(3Z)-3-己烯酯 (CAS 61444-38-0), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: hex-3-enyl hex-3-enoate.
Chemical Property Profile of 3-己烯酸(3Z)-3-己烯酯
Property Insights of 3-己烯酸(3Z)-3-己烯酯
The XLogP value of 3.3 indicates that 3-己烯酸(3Z)-3-己烯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-己烯酸(3Z)-3-己烯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-己烯酸(3Z)-3-己烯酯 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 3-己烯酸(3Z)-3-己烯酯?
The CAS number of 3-己烯酸(3Z)-3-己烯酯 is 61444-38-0.
What is the molecular formula of 3-己烯酸(3Z)-3-己烯酯?
The molecular formula of 3-己烯酸(3Z)-3-己烯酯 is C12H20O2.
What is the molecular weight of 3-己烯酸(3Z)-3-己烯酯?
The molecular weight of 3-己烯酸(3Z)-3-己烯酯 is 196.15 g/mol.
Where can I buy 3-己烯酸(3Z)-3-己烯酯?
You can request a quote for 3-己烯酸(3Z)-3-己烯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-己烯酸(3Z)-3-己烯酯?
Yes, KEHONG BIO provides custom synthesis services for 3-己烯酸(3Z)-3-己烯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.