1,4,7,10,13,16-Hexathiacyclooctadecane-2,3,11,12-tetrone
TL;DR: 1,4,7,10,13,16-Hexathiacyclooctadecane-2,3,11,12-tetrone (CAS 66785-63-5) is a chemical compound with molecular formula C12H16O4S6 and molecular weight 415.94 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-2,3,11,12-tetrone
Also Known As: 1,4,7,10,13,16-hexathiacyclooctadecane-2,3,11,12-tetrone, 1,4,7,10,13,16-Hexathiacyclooctadecan-2,3,11,12-tetraon, 1,4,7,10,13,16-Hexathiacyclooctadecane-2,3,11,12-tetraone, 1,4,7,10,13,16-Hexathiacyclooctadecane-8,9,17,18-tetraone
| Molecular Formula | C12H16O4S6 |
|---|---|
| Molecular Weight | 415.94 g/mol |
| LogP | 2.5056 |
| Topological Polar Surface Area | 68.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 415.9373 |
| Heavy Atoms | 22 |
| Complexity | 340.42065 |
Chemical Identifiers
| CAS Number | 66785-63-5 |
|---|---|
| SMILES | C1CSC(=O)C(=O)SCCSCCSC(=O)C(=O)SCCS1 |
Product Overview
1,4,7,10,13,16-Hexathiacyclooctadecane-2,3,11,12-tetrone (CAS 66785-63-5), with molecular formula C12H16O4S6 and molecular weight 415.94 g/mol. IUPAC: 1,4,7,10,13,16-hexathiacyclooctadecane-2,3,11,12-tetrone.
Chemical Property Profile of 1,4,7,10,13,16-Hexathiacyclooctadecane-2,3,11,12-tetrone
Property Insights of 1,4,7,10,13,16-Hexathiacyclooctadecane-2,3,11,12-tetrone
The XLogP value of 2.5056 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,7,10,13,16-Hexathiacyclooctadecane-2,3,11,12-tetrone. The TPSA of 68.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,7,10,13,16-Hexathiacyclooctadecane-2,3,11,12-tetrone. Following Lipinski's Rule of Five, 1,4,7,10,13,16-Hexathiacyclooctadecane-2,3,11,12-tetrone has 0 hydrogen bond donor(s) and 10 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-2,3,11,12-tetrone?
The CAS number of 1,4,7,10,13,16-Hexathiacyclooctadecane-2,3,11,12-tetrone is 66785-63-5.
What is the molecular formula of 1,4,7,10,13,16-Hexathiacyclooctadecane-2,3,11,12-tetrone?
The molecular formula of 1,4,7,10,13,16-Hexathiacyclooctadecane-2,3,11,12-tetrone is C12H16O4S6.
What is the molecular weight of 1,4,7,10,13,16-Hexathiacyclooctadecane-2,3,11,12-tetrone?
The molecular weight of 1,4,7,10,13,16-Hexathiacyclooctadecane-2,3,11,12-tetrone is 415.94 g/mol.
Where can I buy 1,4,7,10,13,16-Hexathiacyclooctadecane-2,3,11,12-tetrone?
You can request a quote for 1,4,7,10,13,16-Hexathiacyclooctadecane-2,3,11,12-tetrone 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-2,3,11,12-tetrone?
Yes, KEHONG BIO provides custom synthesis services for 1,4,7,10,13,16-Hexathiacyclooctadecane-2,3,11,12-tetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.