diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate
TL;DR: diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate (CAS 55970-45-1) is a chemical compound with molecular formula C20H20O4S2 and molecular weight 388.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate
Also Known As: diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate, RefChem:357287
| Molecular Formula | C20H20O4S2 |
|---|---|
| Molecular Weight | 388.08 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 388.0803 |
| Heavy Atoms | 26 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 55970-45-1 |
|---|---|
| SMILES | CCOC(=O)C1(SC(S1)(C2=CC=CC=C2)C(=O)OCC)C3=CC=CC=C3 |
| InChIKey | DPAGRMHCUQHTMH-UHFFFAOYSA-N |
Product Overview
diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate (CAS 55970-45-1), with molecular formula C20H20O4S2 and molecular weight 388.08 g/mol. IUPAC: diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate.
Chemical Property Profile of diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate
Property Insights of diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate
The XLogP value of 5.1 indicates that diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate. Following Lipinski's Rule of Five, diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate?
The CAS number of diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate is 55970-45-1.
What is the molecular formula of diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate?
The molecular formula of diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate is C20H20O4S2.
What is the molecular weight of diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate?
The molecular weight of diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate is 388.08 g/mol.
Where can I buy diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate?
You can request a quote for diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2,4-diphenyl-1,3-dithietane-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.