2,5-Bis(2,4-dichlorophenyl)-1,1-dioxothiophene-3,4-diol
TL;DR: 2,5-Bis(2,4-dichlorophenyl)-1,1-dioxothiophene-3,4-diol (CAS 5739-39-9) is a chemical compound with molecular formula C16H8Cl4O4S and molecular weight 435.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis(2,4-dichlorophenyl)-1,1-dioxothiophene-3,4-diol
Also Known As: 5alpha-androst-1-en-3,17-diol, 2,5-bis(2,4-dichlorophenyl)-1,1-dioxothiophene-3,4-diol, 3,4-Thiophenediol, 2,5-bis(2,4-dichlorophenyl)-, 1,1-dioxide, 2,5-bis(2,4-dichlorophenyl)-1,1-dioxo-thiophene-3,4-diol, 3,4-Thiophenediol,2,5-bis(2,4-dichlorophenyl)-, 1,1-dioxide
| Molecular Formula | C16H8Cl4O4S |
|---|---|
| Molecular Weight | 435.89 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 435.88974 |
| Heavy Atoms | 25 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 5739-39-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C2=C(C(=C(S2(=O)=O)C3=C(C=C(C=C3)Cl)Cl)O)O |
| InChIKey | RHBCOSLUCRSTGD-UHFFFAOYSA-N |
Product Overview
2,5-Bis(2,4-dichlorophenyl)-1,1-dioxothiophene-3,4-diol (CAS 5739-39-9), with molecular formula C16H8Cl4O4S and molecular weight 435.89 g/mol. IUPAC: 2,5-bis(2,4-dichlorophenyl)-1,1-dioxothiophene-3,4-diol.
Chemical Property Profile of 2,5-Bis(2,4-dichlorophenyl)-1,1-dioxothiophene-3,4-diol
Property Insights of 2,5-Bis(2,4-dichlorophenyl)-1,1-dioxothiophene-3,4-diol
The XLogP value of 4.7 indicates that 2,5-Bis(2,4-dichlorophenyl)-1,1-dioxothiophene-3,4-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Bis(2,4-dichlorophenyl)-1,1-dioxothiophene-3,4-diol. Following Lipinski's Rule of Five, 2,5-Bis(2,4-dichlorophenyl)-1,1-dioxothiophene-3,4-diol has 2 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-Bis(2,4-dichlorophenyl)-1,1-dioxothiophene-3,4-diol?
The CAS number of 2,5-Bis(2,4-dichlorophenyl)-1,1-dioxothiophene-3,4-diol is 5739-39-9.
What is the molecular formula of 2,5-Bis(2,4-dichlorophenyl)-1,1-dioxothiophene-3,4-diol?
The molecular formula of 2,5-Bis(2,4-dichlorophenyl)-1,1-dioxothiophene-3,4-diol is C16H8Cl4O4S.
What is the molecular weight of 2,5-Bis(2,4-dichlorophenyl)-1,1-dioxothiophene-3,4-diol?
The molecular weight of 2,5-Bis(2,4-dichlorophenyl)-1,1-dioxothiophene-3,4-diol is 435.89 g/mol.
Where can I buy 2,5-Bis(2,4-dichlorophenyl)-1,1-dioxothiophene-3,4-diol?
You can request a quote for 2,5-Bis(2,4-dichlorophenyl)-1,1-dioxothiophene-3,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Bis(2,4-dichlorophenyl)-1,1-dioxothiophene-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Bis(2,4-dichlorophenyl)-1,1-dioxothiophene-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.