2,5-Diphenyl-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone
TL;DR: 2,5-Diphenyl-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone (CAS 59412-21-4) is a chemical compound with molecular formula C16H12O4S2 and molecular weight 332.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-diphenyl-1,4-dithiine 1,1,4,4-tetraoxide
Also Known As: 2,5-diphenyl-1,4-dithiine 1,1,4,4-tetraoxide, 2,5-Diphenyl-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone, RefChem:247674
| Molecular Formula | C16H12O4S2 |
|---|---|
| Molecular Weight | 332.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.0177 |
| Heavy Atoms | 22 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 59412-21-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CS(=O)(=O)C(=CS2(=O)=O)C3=CC=CC=C3 |
| InChIKey | YNGKTLMTTOQZRW-UHFFFAOYSA-N |
Product Overview
2,5-Diphenyl-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone (CAS 59412-21-4), with molecular formula C16H12O4S2 and molecular weight 332.02 g/mol. IUPAC: 2,5-diphenyl-1,4-dithiine 1,1,4,4-tetraoxide.
Chemical Property Profile of 2,5-Diphenyl-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone
Property Insights of 2,5-Diphenyl-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Diphenyl-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Diphenyl-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone. Following Lipinski's Rule of Five, 2,5-Diphenyl-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone 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 2,5-Diphenyl-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone?
The CAS number of 2,5-Diphenyl-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone is 59412-21-4.
What is the molecular formula of 2,5-Diphenyl-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone?
The molecular formula of 2,5-Diphenyl-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone is C16H12O4S2.
What is the molecular weight of 2,5-Diphenyl-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone?
The molecular weight of 2,5-Diphenyl-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone is 332.02 g/mol.
Where can I buy 2,5-Diphenyl-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone?
You can request a quote for 2,5-Diphenyl-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Diphenyl-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Diphenyl-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.