![3,7-Dithiabicyclo[7.2.2]trideca-1(11),9,12-triene structure](/static/products/850/85079-84-1.png)
3,7-Dithiabicyclo[7.2.2]trideca-1(11),9,12-triene
TL;DR: 3,7-Dithiabicyclo[7.2.2]trideca-1(11),9,12-triene (CAS 85079-84-1) is a chemical compound with molecular formula C11H14S2 and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dithiabicyclo[7.2.2]trideca-1(11),9,12-triene
Also Known As: 2,6-dithia[7]paracyclophane, 3,7-dithiabicyclo[7.2.2]trideca-10,12,14-triene, 3,7-dithiabicyclo[7.2.2]trideca-1(11),9,12-triene
| Molecular Formula | C11H14S2 |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 3.5567 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.0537 |
| Heavy Atoms | 13 |
| Complexity | 226.29771 |
Chemical Identifiers
| CAS Number | 85079-84-1 |
|---|---|
| SMILES | C1CSCC2=CC=C(CSC1)C=C2 |
Product Overview
3,7-Dithiabicyclo[7.2.2]trideca-1(11),9,12-triene (CAS 85079-84-1), with molecular formula C11H14S2 and molecular weight 210.05 g/mol. IUPAC: 3,7-dithiabicyclo[7.2.2]trideca-1(11),9,12-triene.
Chemical Property Profile of 3,7-Dithiabicyclo[7.2.2]trideca-1(11),9,12-triene
Property Insights of 3,7-Dithiabicyclo[7.2.2]trideca-1(11),9,12-triene
The XLogP value of 3.5567 indicates that 3,7-Dithiabicyclo[7.2.2]trideca-1(11),9,12-triene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,7-Dithiabicyclo[7.2.2]trideca-1(11),9,12-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dithiabicyclo[7.2.2]trideca-1(11),9,12-triene has 0 hydrogen bond donor(s) and 2 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 3,7-Dithiabicyclo[7.2.2]trideca-1(11),9,12-triene?
The CAS number of 3,7-Dithiabicyclo[7.2.2]trideca-1(11),9,12-triene is 85079-84-1.
What is the molecular formula of 3,7-Dithiabicyclo[7.2.2]trideca-1(11),9,12-triene?
The molecular formula of 3,7-Dithiabicyclo[7.2.2]trideca-1(11),9,12-triene is C11H14S2.
What is the molecular weight of 3,7-Dithiabicyclo[7.2.2]trideca-1(11),9,12-triene?
The molecular weight of 3,7-Dithiabicyclo[7.2.2]trideca-1(11),9,12-triene is 210.05 g/mol.
Where can I buy 3,7-Dithiabicyclo[7.2.2]trideca-1(11),9,12-triene?
You can request a quote for 3,7-Dithiabicyclo[7.2.2]trideca-1(11),9,12-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dithiabicyclo[7.2.2]trideca-1(11),9,12-triene?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dithiabicyclo[7.2.2]trideca-1(11),9,12-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.