1-(Hexylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol
TL;DR: 1-(Hexylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol (CAS 102244-19-9) is a chemical compound with molecular formula C16H28OS and molecular weight 268.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol
Also Known As: 2,5,6-Trimethyl-7-hexylthiohept-1-en-3-yn-5-ol, 1-(Hexylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol, 1-(hexylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol, 6-HEPTEN-4-YN-3-OL, 1-(HEXYLTHIO)-2,3,6-TRIMETHYL-, 1-hexylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol
| Molecular Formula | C16H28OS |
|---|---|
| Molecular Weight | 268.19 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 268.1861 |
| Heavy Atoms | 18 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 102244-19-9 |
|---|---|
| SMILES | CCCCCCSCC(C)C(C)(C#CC(=C)C)O |
| InChIKey | XPQWRZYCFSFHSO-UHFFFAOYSA-N |
Product Overview
1-(Hexylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol (CAS 102244-19-9), with molecular formula C16H28OS and molecular weight 268.19 g/mol. IUPAC: 1-hexylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol.
Chemical Property Profile of 1-(Hexylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol
Property Insights of 1-(Hexylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol
The XLogP value of 5.2 indicates that 1-(Hexylsulfanyl)-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-(Hexylsulfanyl)-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-(Hexylsulfanyl)-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
Frequently Asked Questions
What is the CAS number of 1-(Hexylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol?
The CAS number of 1-(Hexylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol is 102244-19-9.
What is the molecular formula of 1-(Hexylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol?
The molecular formula of 1-(Hexylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol is C16H28OS.
What is the molecular weight of 1-(Hexylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol?
The molecular weight of 1-(Hexylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol is 268.19 g/mol.
Where can I buy 1-(Hexylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol?
You can request a quote for 1-(Hexylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Hexylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(Hexylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.