2-Thia-5,8,11-trioxa-4,7,10-trimethyltetradecan-13-ol
TL;DR: 2-Thia-5,8,11-trioxa-4,7,10-trimethyltetradecan-13-ol (CAS 72187-29-2) is a chemical compound with molecular formula C13H28O4S and molecular weight 280.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(2S)-1-[(2S)-1-[(2R)-1-methylsulfanylpropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-ol
Also Known As: 2-Thia-5,8,11-trioxa-4,7,10-trimethyltetradecan-13-ol, 4,7,10-Trioxa-13-thiatetradecan-2-ol, 5,8,11-trimethyl-, 5,8,11-Trioxa-2-thiatetradecan-13-ol, 4,7,10-trimethyl-, (2S)-1-[(2S)-1-[(2S)-1-[(2R)-1-methylsulfanylpropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-ol
| Molecular Formula | C13H28O4S |
|---|---|
| Molecular Weight | 280.17 g/mol |
| LogP | 1.9455 |
| Topological Polar Surface Area | 47.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 280.17084 |
| Heavy Atoms | 18 |
| Complexity | 189.83006 |
Chemical Identifiers
| CAS Number | 72187-29-2 |
|---|---|
| SMILES | C[C@@H](CO[C@@H](C)CO[C@@H](C)CO[C@H](C)CSC)O |
Product Overview
2-Thia-5,8,11-trioxa-4,7,10-trimethyltetradecan-13-ol (CAS 72187-29-2), with molecular formula C13H28O4S and molecular weight 280.17 g/mol. IUPAC: (2S)-1-[(2S)-1-[(2S)-1-[(2R)-1-methylsulfanylpropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-ol.
Chemical Property Profile of 2-Thia-5,8,11-trioxa-4,7,10-trimethyltetradecan-13-ol
Property Insights of 2-Thia-5,8,11-trioxa-4,7,10-trimethyltetradecan-13-ol
The XLogP value of 1.9455 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thia-5,8,11-trioxa-4,7,10-trimethyltetradecan-13-ol. With a topological polar surface area (TPSA) of 47.92 Ų, 2-Thia-5,8,11-trioxa-4,7,10-trimethyltetradecan-13-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thia-5,8,11-trioxa-4,7,10-trimethyltetradecan-13-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 2-Thia-5,8,11-trioxa-4,7,10-trimethyltetradecan-13-ol?
The CAS number of 2-Thia-5,8,11-trioxa-4,7,10-trimethyltetradecan-13-ol is 72187-29-2.
What is the molecular formula of 2-Thia-5,8,11-trioxa-4,7,10-trimethyltetradecan-13-ol?
The molecular formula of 2-Thia-5,8,11-trioxa-4,7,10-trimethyltetradecan-13-ol is C13H28O4S.
What is the molecular weight of 2-Thia-5,8,11-trioxa-4,7,10-trimethyltetradecan-13-ol?
The molecular weight of 2-Thia-5,8,11-trioxa-4,7,10-trimethyltetradecan-13-ol is 280.17 g/mol.
Where can I buy 2-Thia-5,8,11-trioxa-4,7,10-trimethyltetradecan-13-ol?
You can request a quote for 2-Thia-5,8,11-trioxa-4,7,10-trimethyltetradecan-13-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thia-5,8,11-trioxa-4,7,10-trimethyltetradecan-13-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Thia-5,8,11-trioxa-4,7,10-trimethyltetradecan-13-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.