1-(Decylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol
TL;DR: 1-(Decylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol (CAS 102244-23-5) is a chemical compound with molecular formula C20H36OS and molecular weight 324.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-decylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol
Also Known As: 1-(Decylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol, 1-decylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol, 2,5,6-Trimethyl-7-decylthiohept-1-en-3-yn-5-ol, 1-(decylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol, 6-HEPTEN-4-YN-3-OL, 1-(DECYLTHIO)-2,3,6-TRIMETHYL-
| Molecular Formula | C20H36OS |
|---|---|
| Molecular Weight | 324.25 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 324.2487 |
| Heavy Atoms | 22 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 102244-23-5 |
|---|---|
| SMILES | CCCCCCCCCCSCC(C)C(C)(C#CC(=C)C)O |
| InChIKey | HBTWZHREWLKKRH-UHFFFAOYSA-N |
Product Overview
1-(Decylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol (CAS 102244-23-5), with molecular formula C20H36OS and molecular weight 324.25 g/mol. IUPAC: 1-decylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol.
Chemical Property Profile of 1-(Decylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol
Property Insights of 1-(Decylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol
The XLogP value of 7.4 indicates that 1-(Decylsulfanyl)-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-(Decylsulfanyl)-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-(Decylsulfanyl)-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-(Decylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol?
The CAS number of 1-(Decylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol is 102244-23-5.
What is the molecular formula of 1-(Decylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol?
The molecular formula of 1-(Decylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol is C20H36OS.
What is the molecular weight of 1-(Decylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol?
The molecular weight of 1-(Decylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol is 324.25 g/mol.
Where can I buy 1-(Decylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol?
You can request a quote for 1-(Decylsulfanyl)-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-(Decylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(Decylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.