1,4,7,10,13,16-Hexathiacyclooctadecane
TL;DR: 1,4,7,10,13,16-Hexathiacyclooctadecane (CAS 296-41-3) is a chemical compound with molecular formula C12H24S6 and molecular weight 360.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,7,10,13,16-hexathiacyclooctadecane
Also Known As: 1,4,7,10,13,16-Hexathiacyclooctadecane, Cyclo-hexaC2S, hexathia-18-crown-6, 18-Ane-S6, C1CSCCSCCSCCSCCSCCS1
| Molecular Formula | C12H24S6 |
|---|---|
| Molecular Weight | 360.02 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 360.02023 |
| Heavy Atoms | 18 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 296-41-3 |
|---|---|
| SMILES | C1CSCCSCCSCCSCCSCCS1 |
| InChIKey | HELCSRZMDRYPIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4,7,10,13,16-Hexathiacyclooctadecane (CAS 296-41-3), with molecular formula C12H24S6 and molecular weight 360.02 g/mol. IUPAC: 1,4,7,10,13,16-hexathiacyclooctadecane.
Chemical Property Profile of 1,4,7,10,13,16-Hexathiacyclooctadecane
Property Insights of 1,4,7,10,13,16-Hexathiacyclooctadecane
The XLogP value of 3.9 indicates that 1,4,7,10,13,16-Hexathiacyclooctadecane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting 1,4,7,10,13,16-Hexathiacyclooctadecane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4,7,10,13,16-Hexathiacyclooctadecane has 0 hydrogen bond donor(s) and 6 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 1,4,7,10,13,16-Hexathiacyclooctadecane?
The CAS number of 1,4,7,10,13,16-Hexathiacyclooctadecane is 296-41-3.
What is the molecular formula of 1,4,7,10,13,16-Hexathiacyclooctadecane?
The molecular formula of 1,4,7,10,13,16-Hexathiacyclooctadecane is C12H24S6.
What is the molecular weight of 1,4,7,10,13,16-Hexathiacyclooctadecane?
The molecular weight of 1,4,7,10,13,16-Hexathiacyclooctadecane is 360.02 g/mol.
Where can I buy 1,4,7,10,13,16-Hexathiacyclooctadecane?
You can request a quote for 1,4,7,10,13,16-Hexathiacyclooctadecane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,7,10,13,16-Hexathiacyclooctadecane?
Yes, KEHONG BIO provides custom synthesis services for 1,4,7,10,13,16-Hexathiacyclooctadecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.