1-(Heptylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol
TL;DR: 1-(Heptylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol (CAS 102244-20-2) is a chemical compound with molecular formula C17H30OS and molecular weight 282.20175 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-heptylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol
Also Known As: 1-heptylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol, 2,5,6-Trimethyl-7-heptylthiohept-1-en-3-yn-5-ol, 6-HEPTEN-4-YN-3-OL, 1-(HEPTYLTHIO)-2,3,6-TRIMETHYL-, 1-(heptylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol, 1-(Heptylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol
Technical Specifications
| Molecular Formula | C17H30OS |
| Molecular Weight | 282.20175 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 282.20175 Da |
| Heavy Atoms | 19 |
| Complexity | 323.0 |
| SMILES | CCCCCCCSCC(C)C(C)(C#CC(=C)C)O |
| InChIKey | VOAMBOADIPKEHO-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Heptylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol
Property Insights of 1-(Heptylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol
The XLogP value of 5.7 indicates that 1-(Heptylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, 1-(Heptylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Heptylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-(Heptylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol?
The CAS number of 1-(Heptylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol is 102244-20-2.
What is the molecular formula of 1-(Heptylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol?
The molecular formula of 1-(Heptylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol is C17H30OS.
What is the molecular weight of 1-(Heptylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol?
The molecular weight of 1-(Heptylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol is 282.20175 g/mol.
Where can I buy 1-(Heptylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol?
You can request a quote for 1-(Heptylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Heptylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol?
Yes, CoreyChem provides custom synthesis services for 1-(Heptylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.