1,4,5,8-Tetrakis(phenylthio)anthraquinone
TL;DR: 1,4,5,8-Tetrakis(phenylthio)anthraquinone (CAS 52741-01-2) is a chemical compound with molecular formula C38H24O2S4 and molecular weight 640.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,5,8-tetrakis(phenylsulfanyl)anthracene-9,10-dione
Also Known As: 1,4,5,8-Tetrakis(phenylthio)anthraquinone, 1,4,5,8-tetrakis anthraquinone, 1,4,5,8-tetrakis(phenylsulfanyl)anthracene-9,10-dione, 9,10-anthracenedione, 1,4,5,8-tetrakis(phenylthio)-, 1,4,5,8-Tetrakis(phenylthio)-9,10-anthracenedione
| Molecular Formula | C38H24O2S4 |
|---|---|
| Molecular Weight | 640.07 g/mol |
| LogP | 11.1 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 640.0659 |
| Heavy Atoms | 44 |
| Complexity | 800.0 |
Chemical Identifiers
| CAS Number | 52741-01-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=C3C(=C(C=C2)SC4=CC=CC=C4)C(=O)C5=C(C=CC(=C5C3=O)SC6=CC=CC=C6)SC7=CC=CC=C7 |
| InChIKey | WLEIVDIWTWFRLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4,5,8-Tetrakis(phenylthio)anthraquinone (CAS 52741-01-2), with molecular formula C38H24O2S4 and molecular weight 640.07 g/mol. IUPAC: 1,4,5,8-tetrakis(phenylsulfanyl)anthracene-9,10-dione.
Chemical Property Profile of 1,4,5,8-Tetrakis(phenylthio)anthraquinone
Property Insights of 1,4,5,8-Tetrakis(phenylthio)anthraquinone
The XLogP value of 11.1 indicates that 1,4,5,8-Tetrakis(phenylthio)anthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,5,8-Tetrakis(phenylthio)anthraquinone. Following Lipinski's Rule of Five, 1,4,5,8-Tetrakis(phenylthio)anthraquinone 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 1,4,5,8-Tetrakis(phenylthio)anthraquinone?
The CAS number of 1,4,5,8-Tetrakis(phenylthio)anthraquinone is 52741-01-2.
What is the molecular formula of 1,4,5,8-Tetrakis(phenylthio)anthraquinone?
The molecular formula of 1,4,5,8-Tetrakis(phenylthio)anthraquinone is C38H24O2S4.
What is the molecular weight of 1,4,5,8-Tetrakis(phenylthio)anthraquinone?
The molecular weight of 1,4,5,8-Tetrakis(phenylthio)anthraquinone is 640.07 g/mol.
Where can I buy 1,4,5,8-Tetrakis(phenylthio)anthraquinone?
You can request a quote for 1,4,5,8-Tetrakis(phenylthio)anthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,5,8-Tetrakis(phenylthio)anthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 1,4,5,8-Tetrakis(phenylthio)anthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.