13,14-Dithiatricyclo(8.2.1.14,7)tetradeca-4,6,10,12-tetraene
TL;DR: 13,14-Dithiatricyclo(8.2.1.14,7)tetradeca-4,6,10,12-tetraene (CAS 7075-88-9) is a chemical compound with molecular formula C12H12S2 and molecular weight 220.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13,14-dithiatricyclo[8.2.1.14,7]tetradeca-1(12),4,6,10-tetraene
Also Known As: [2.2]thiophenophane|[2.2](2,5)thiophenophane|1-(Carboxyethylthio)tetradecane|1,4(2,5)-Dithiophenacyclohexaphane|13,14-Dithiatricyclo(8.2.1.14,7)tetradeca-4,6,10,12-tetraene|13,14-Dithiatricyclo[8.2.1.14,7]tetradeca-4,6,10,12-tetraene|13,14-Dithiatricyclo[8.2.1.14,7]tetradeca-4,6,10,12-tetraene,stereoisomer|13,14-Dithiatricyclo[8.2.1.14,7]- tetradeca-4,6,10,12-tetraene|13,14-dithiatricyclo[8.2.1.14,7]tetradeca-1(12),4,6,10-tetraene|13,14-Dithiatricyclo[8.2.1.14,7]tetradeca-4,6,10,12(1)-tetrene|RefChem:236482|DTXCID00146356
| Molecular Formula | C12H12S2 |
|---|---|
| Molecular Weight | 220.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.03804 |
| Heavy Atoms | 14 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 7075-88-9 |
|---|---|
| SMILES | C1CC2=CC=C(S2)CCC3=CC=C1S3 |
| InChIKey | SKTFMHHTUSLPCB-UHFFFAOYSA-N |
Product Overview
13,14-Dithiatricyclo(8.2.1.14,7)tetradeca-4,6,10,12-tetraene (CAS 7075-88-9), with molecular formula C12H12S2 and molecular weight 220.04 g/mol. IUPAC: 13,14-dithiatricyclo[8.2.1.14,7]tetradeca-1(12),4,6,10-tetraene.
Chemical Property Profile of 13,14-Dithiatricyclo(8.2.1.14,7)tetradeca-4,6,10,12-tetraene
Property Insights of 13,14-Dithiatricyclo(8.2.1.14,7)tetradeca-4,6,10,12-tetraene
The XLogP value of 3.9 indicates that 13,14-Dithiatricyclo(8.2.1.14,7)tetradeca-4,6,10,12-tetraene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.5 Ų, 13,14-Dithiatricyclo(8.2.1.14,7)tetradeca-4,6,10,12-tetraene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 13,14-Dithiatricyclo(8.2.1.14,7)tetradeca-4,6,10,12-tetraene 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 13,14-Dithiatricyclo(8.2.1.14,7)tetradeca-4,6,10,12-tetraene?
The CAS number of 13,14-Dithiatricyclo(8.2.1.14,7)tetradeca-4,6,10,12-tetraene is 7075-88-9.
What is the molecular formula of 13,14-Dithiatricyclo(8.2.1.14,7)tetradeca-4,6,10,12-tetraene?
The molecular formula of 13,14-Dithiatricyclo(8.2.1.14,7)tetradeca-4,6,10,12-tetraene is C12H12S2.
What is the molecular weight of 13,14-Dithiatricyclo(8.2.1.14,7)tetradeca-4,6,10,12-tetraene?
The molecular weight of 13,14-Dithiatricyclo(8.2.1.14,7)tetradeca-4,6,10,12-tetraene is 220.04 g/mol.
Where can I buy 13,14-Dithiatricyclo(8.2.1.14,7)tetradeca-4,6,10,12-tetraene?
You can request a quote for 13,14-Dithiatricyclo(8.2.1.14,7)tetradeca-4,6,10,12-tetraene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13,14-Dithiatricyclo(8.2.1.14,7)tetradeca-4,6,10,12-tetraene?
Yes, KEHONG BIO provides custom synthesis services for 13,14-Dithiatricyclo(8.2.1.14,7)tetradeca-4,6,10,12-tetraene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.