2,3,6-Trimethyl-1-(propylsulfanyl)hept-6-en-4-yn-3-ol
TL;DR: 2,3,6-Trimethyl-1-(propylsulfanyl)hept-6-en-4-yn-3-ol (CAS 77922-38-4) is a chemical compound with molecular formula C13H22OS and molecular weight 226.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,6-trimethyl-1-propylsulfanylhept-6-en-4-yn-3-ol
Also Known As: 2,5,6-Trimethyl-7-propylthiohept-1-en-3-yn-5-ol, 1-(Propylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol, 2,3,6-Trimethyl-1-(propylsulfanyl)hept-6-en-4-yn-3-ol, 6-HEPTEN-4-YN-3-OL, 1-(PROPYLTHIO)-2,3,6-TRIMETHYL-, 2,3,6-trimethyl-1-propylsulfanylhept-6-en-4-yn-3-ol
| Molecular Formula | C13H22OS |
|---|---|
| Molecular Weight | 226.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.13913 |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 77922-38-4 |
|---|---|
| SMILES | CCCSCC(C)C(C)(C#CC(=C)C)O |
| InChIKey | CMSMZGJTFJRLFO-UHFFFAOYSA-N |
Product Overview
2,3,6-Trimethyl-1-(propylsulfanyl)hept-6-en-4-yn-3-ol (CAS 77922-38-4), with molecular formula C13H22OS and molecular weight 226.14 g/mol. IUPAC: 2,3,6-trimethyl-1-propylsulfanylhept-6-en-4-yn-3-ol.
Chemical Property Profile of 2,3,6-Trimethyl-1-(propylsulfanyl)hept-6-en-4-yn-3-ol
Property Insights of 2,3,6-Trimethyl-1-(propylsulfanyl)hept-6-en-4-yn-3-ol
The XLogP value of 3.8 indicates that 2,3,6-Trimethyl-1-(propylsulfanyl)hept-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, 2,3,6-Trimethyl-1-(propylsulfanyl)hept-6-en-4-yn-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,6-Trimethyl-1-(propylsulfanyl)hept-6-en-4-yn-3-ol has 1 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 2,3,6-Trimethyl-1-(propylsulfanyl)hept-6-en-4-yn-3-ol?
The CAS number of 2,3,6-Trimethyl-1-(propylsulfanyl)hept-6-en-4-yn-3-ol is 77922-38-4.
What is the molecular formula of 2,3,6-Trimethyl-1-(propylsulfanyl)hept-6-en-4-yn-3-ol?
The molecular formula of 2,3,6-Trimethyl-1-(propylsulfanyl)hept-6-en-4-yn-3-ol is C13H22OS.
What is the molecular weight of 2,3,6-Trimethyl-1-(propylsulfanyl)hept-6-en-4-yn-3-ol?
The molecular weight of 2,3,6-Trimethyl-1-(propylsulfanyl)hept-6-en-4-yn-3-ol is 226.14 g/mol.
Where can I buy 2,3,6-Trimethyl-1-(propylsulfanyl)hept-6-en-4-yn-3-ol?
You can request a quote for 2,3,6-Trimethyl-1-(propylsulfanyl)hept-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 2,3,6-Trimethyl-1-(propylsulfanyl)hept-6-en-4-yn-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6-Trimethyl-1-(propylsulfanyl)hept-6-en-4-yn-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.