3,6,12-Trioxa-9-thiaoctadecan-1-ol
TL;DR: 3,6,12-Trioxa-9-thiaoctadecan-1-ol (CAS 114502-76-0) is a chemical compound with molecular formula C14H30O4S and molecular weight 294.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-(2-hexoxyethylsulfanyl)ethoxy]ethoxy]ethanol
Also Known As: 3,6,12-Trioxa-9-thiaoctadecan-1-ol, 2-[2-[2-(2-hexoxyethylsulfanyl)ethoxy]ethoxy]ethanol, 2-{2-[2-(2-hexyloxyethylthio)ethoxy]ethoxy}ethan-1-ol
| Molecular Formula | C14H30O4S |
|---|---|
| Molecular Weight | 294.19 g/mol |
| LogP | 2.342 |
| Topological Polar Surface Area | 47.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 294.1865 |
| Heavy Atoms | 19 |
| Complexity | 142.3814 |
Chemical Identifiers
| CAS Number | 114502-76-0 |
|---|---|
| SMILES | CCCCCCOCCSCCOCCOCCO |
Product Overview
3,6,12-Trioxa-9-thiaoctadecan-1-ol (CAS 114502-76-0), with molecular formula C14H30O4S and molecular weight 294.19 g/mol. IUPAC: 2-[2-[2-(2-hexoxyethylsulfanyl)ethoxy]ethoxy]ethanol.
Chemical Property Profile of 3,6,12-Trioxa-9-thiaoctadecan-1-ol
Property Insights of 3,6,12-Trioxa-9-thiaoctadecan-1-ol
The XLogP value of 2.342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6,12-Trioxa-9-thiaoctadecan-1-ol. With a topological polar surface area (TPSA) of 47.92 Ų, 3,6,12-Trioxa-9-thiaoctadecan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6,12-Trioxa-9-thiaoctadecan-1-ol has 1 hydrogen bond donor(s) and 5 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 3,6,12-Trioxa-9-thiaoctadecan-1-ol?
The CAS number of 3,6,12-Trioxa-9-thiaoctadecan-1-ol is 114502-76-0.
What is the molecular formula of 3,6,12-Trioxa-9-thiaoctadecan-1-ol?
The molecular formula of 3,6,12-Trioxa-9-thiaoctadecan-1-ol is C14H30O4S.
What is the molecular weight of 3,6,12-Trioxa-9-thiaoctadecan-1-ol?
The molecular weight of 3,6,12-Trioxa-9-thiaoctadecan-1-ol is 294.19 g/mol.
Where can I buy 3,6,12-Trioxa-9-thiaoctadecan-1-ol?
You can request a quote for 3,6,12-Trioxa-9-thiaoctadecan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6,12-Trioxa-9-thiaoctadecan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 3,6,12-Trioxa-9-thiaoctadecan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.