2-(3,4-Dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide
TL;DR: 2-(3,4-Dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide (CAS 57009-86-6) is a chemical compound with molecular formula C12H16O6S2 and molecular weight 320.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide
Also Known As: 2-(3,4-Dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide, 2-(3,4-dimethoxyphenyl)-m-dithiane-1,1,3,3-tetraoxide, 1,3-Dithiane,2-(3,4-dimethoxyphenyl)-, 1,1,3,3-tetraoxide, 2-(3,4-Dimethoxyphenyl)-1lambda~6~,3lambda~6~-dithiane-1,1,3,3-tetrone, EINECS 260-509-0
| Molecular Formula | C12H16O6S2 |
|---|---|
| Molecular Weight | 320.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.03882 |
| Heavy Atoms | 20 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 57009-86-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2S(=O)(=O)CCCS2(=O)=O)OC |
| InChIKey | ODNGPQOKPLSWSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3,4-Dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide (CAS 57009-86-6), with molecular formula C12H16O6S2 and molecular weight 320.04 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide.
Chemical Property Profile of 2-(3,4-Dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide
Property Insights of 2-(3,4-Dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide. Following Lipinski's Rule of Five, 2-(3,4-Dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide 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 2-(3,4-Dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide?
The CAS number of 2-(3,4-Dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide is 57009-86-6.
What is the molecular formula of 2-(3,4-Dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide?
The molecular formula of 2-(3,4-Dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide is C12H16O6S2.
What is the molecular weight of 2-(3,4-Dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide?
The molecular weight of 2-(3,4-Dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide is 320.04 g/mol.
Where can I buy 2-(3,4-Dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide?
You can request a quote for 2-(3,4-Dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.