4-Ethynyl-4-vinyl-1,6-heptadiene
TL;DR: 4-Ethynyl-4-vinyl-1,6-heptadiene (CAS 19781-40-9) is a chemical compound with molecular formula C11H14 and molecular weight 146.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethenyl-4-ethynylhepta-1,6-diene
Also Known As: 4-Ethynyl-4-vinyl-1,6-heptadiene, 4-ethenyl-4-ethynylhepta-1,6-diene, 1,6-Heptadiene, 4-ethynyl-4-vinyl- (8CI), 1,6-HEPTADIENE, 4-ETHYNYL-4-VINYL-
| Molecular Formula | C11H14 |
|---|---|
| Molecular Weight | 146.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 6 |
| Exact Mass | 146.10954 |
| Heavy Atoms | 11 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 19781-40-9 |
|---|---|
| SMILES | C=CCC(CC=C)(C=C)C#C |
| InChIKey | GXJCNDMDCVQBDV-UHFFFAOYSA-N |
Product Overview
4-Ethynyl-4-vinyl-1,6-heptadiene (CAS 19781-40-9), with molecular formula C11H14 and molecular weight 146.11 g/mol. IUPAC: 4-ethenyl-4-ethynylhepta-1,6-diene.
Chemical Property Profile of 4-Ethynyl-4-vinyl-1,6-heptadiene
Property Insights of 4-Ethynyl-4-vinyl-1,6-heptadiene
The XLogP value of 3.6 indicates that 4-Ethynyl-4-vinyl-1,6-heptadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Ethynyl-4-vinyl-1,6-heptadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethynyl-4-vinyl-1,6-heptadiene has 0 hydrogen bond donor(s) and 0 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 4-Ethynyl-4-vinyl-1,6-heptadiene?
The CAS number of 4-Ethynyl-4-vinyl-1,6-heptadiene is 19781-40-9.
What is the molecular formula of 4-Ethynyl-4-vinyl-1,6-heptadiene?
The molecular formula of 4-Ethynyl-4-vinyl-1,6-heptadiene is C11H14.
What is the molecular weight of 4-Ethynyl-4-vinyl-1,6-heptadiene?
The molecular weight of 4-Ethynyl-4-vinyl-1,6-heptadiene is 146.11 g/mol.
Where can I buy 4-Ethynyl-4-vinyl-1,6-heptadiene?
You can request a quote for 4-Ethynyl-4-vinyl-1,6-heptadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethynyl-4-vinyl-1,6-heptadiene?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethynyl-4-vinyl-1,6-heptadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.