1,4,7-Trioxa-10-thiacyclododecane
TL;DR: 1,4,7-Trioxa-10-thiacyclododecane (CAS 294-94-0) is a chemical compound with molecular formula C8H16O3S and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,7-trioxa-10-thiacyclododecane
Also Known As: 1,4,7-Trioxa-10-thiacyclododecane, 4,7,10-Trioxa-1-thiacyclododecane
| Molecular Formula | C8H16O3S |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.08202 |
| Heavy Atoms | 12 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 294-94-0 |
|---|---|
| SMILES | C1COCCSCCOCCO1 |
| InChIKey | JMPKDBRUIAOFAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4,7-Trioxa-10-thiacyclododecane (CAS 294-94-0), with molecular formula C8H16O3S and molecular weight 192.08 g/mol. IUPAC: 1,4,7-trioxa-10-thiacyclododecane.
Chemical Property Profile of 1,4,7-Trioxa-10-thiacyclododecane
Property Insights of 1,4,7-Trioxa-10-thiacyclododecane
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,7-Trioxa-10-thiacyclododecane. With a topological polar surface area (TPSA) of 53.0 Ų, 1,4,7-Trioxa-10-thiacyclododecane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,7-Trioxa-10-thiacyclododecane has 0 hydrogen bond donor(s) and 4 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-Trioxa-10-thiacyclododecane?
The CAS number of 1,4,7-Trioxa-10-thiacyclododecane is 294-94-0.
What is the molecular formula of 1,4,7-Trioxa-10-thiacyclododecane?
The molecular formula of 1,4,7-Trioxa-10-thiacyclododecane is C8H16O3S.
What is the molecular weight of 1,4,7-Trioxa-10-thiacyclododecane?
The molecular weight of 1,4,7-Trioxa-10-thiacyclododecane is 192.08 g/mol.
Where can I buy 1,4,7-Trioxa-10-thiacyclododecane?
You can request a quote for 1,4,7-Trioxa-10-thiacyclododecane 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-Trioxa-10-thiacyclododecane?
Yes, KEHONG BIO provides custom synthesis services for 1,4,7-Trioxa-10-thiacyclododecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.