6-Hepten-4-yn-3-ol, 1-(butylthio)-2,3,6-trimethyl-
TL;DR: 6-Hepten-4-yn-3-ol, 1-(butylthio)-2,3,6-trimethyl- (CAS 77922-39-5) is a chemical compound with molecular formula C14H24OS and molecular weight 240.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol
Also Known As: 2,5,6-Trimethyl-7-butylthiohept-1-en-3-yn-5-ol, 1-(Butylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol, 6-HEPTEN-4-YN-3-OL, 1-(BUTYLTHIO)-2,3,6-TRIMETHYL-, 1-butylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol, 1-(butylsulfanyl)-2,3,6-trimethylhept-6-en-4-yn-3-ol
| Molecular Formula | C14H24OS |
|---|---|
| Molecular Weight | 240.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 240.15479 |
| Heavy Atoms | 16 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 77922-39-5 |
|---|---|
| SMILES | CCCCSCC(C)C(C)(C#CC(=C)C)O |
| InChIKey | YCHNNCYXLMFMCR-UHFFFAOYSA-N |
Product Overview
6-Hepten-4-yn-3-ol, 1-(butylthio)-2,3,6-trimethyl- (CAS 77922-39-5), with molecular formula C14H24OS and molecular weight 240.15 g/mol. IUPAC: 1-butylsulfanyl-2,3,6-trimethylhept-6-en-4-yn-3-ol.
Chemical Property Profile of 6-Hepten-4-yn-3-ol, 1-(butylthio)-2,3,6-trimethyl-
Property Insights of 6-Hepten-4-yn-3-ol, 1-(butylthio)-2,3,6-trimethyl-
The XLogP value of 4.1 indicates that 6-Hepten-4-yn-3-ol, 1-(butylthio)-2,3,6-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, 6-Hepten-4-yn-3-ol, 1-(butylthio)-2,3,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Hepten-4-yn-3-ol, 1-(butylthio)-2,3,6-trimethyl- 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 6-Hepten-4-yn-3-ol, 1-(butylthio)-2,3,6-trimethyl-?
The CAS number of 6-Hepten-4-yn-3-ol, 1-(butylthio)-2,3,6-trimethyl- is 77922-39-5.
What is the molecular formula of 6-Hepten-4-yn-3-ol, 1-(butylthio)-2,3,6-trimethyl-?
The molecular formula of 6-Hepten-4-yn-3-ol, 1-(butylthio)-2,3,6-trimethyl- is C14H24OS.
What is the molecular weight of 6-Hepten-4-yn-3-ol, 1-(butylthio)-2,3,6-trimethyl-?
The molecular weight of 6-Hepten-4-yn-3-ol, 1-(butylthio)-2,3,6-trimethyl- is 240.15 g/mol.
Where can I buy 6-Hepten-4-yn-3-ol, 1-(butylthio)-2,3,6-trimethyl-?
You can request a quote for 6-Hepten-4-yn-3-ol, 1-(butylthio)-2,3,6-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Hepten-4-yn-3-ol, 1-(butylthio)-2,3,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 6-Hepten-4-yn-3-ol, 1-(butylthio)-2,3,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.