1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone
TL;DR: 1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone (CAS 17727-74-1) is a chemical compound with molecular formula C20H14N2O4S and molecular weight 378.0674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-diamino-5,8-dihydroxy-2-phenylsulfanylanthracene-9,10-dione
Also Known As: 1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone, 1,4-diamino-5,8-dihydroxy-2-phenylsulfanylanthracene-9,10-dione, 1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthracene-9,10-dione, 9,10-anthracenedione, 1,4-diamino-5,8-dihydroxy-2-(phenylthio)-, 1,4-diamino-5,8-dihydroxy-2-(phenylsulfanyl)anthracene-9,10-dione
Technical Specifications
| Molecular Formula | C20H14N2O4S |
| Molecular Weight | 378.0674 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 152.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.0674 Da |
| Heavy Atoms | 27 |
| Complexity | 597.0 |
| SMILES | C1=CC=C(C=C1)SC2=C(C3=C(C(=C2)N)C(=O)C4=C(C=CC(=C4C3=O)O)O)N |
| InChIKey | PUHVZLBTWPOIFZ-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone
Property Insights of 1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone
The XLogP value of 4.0 indicates that 1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting 1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone?
The CAS number of 1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone is 17727-74-1.
What is the molecular formula of 1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone?
The molecular formula of 1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone is C20H14N2O4S.
What is the molecular weight of 1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone?
The molecular weight of 1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone is 378.0674 g/mol.
Where can I buy 1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone?
You can request a quote for 1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone?
Yes, CoreyChem provides custom synthesis services for 1,4-Diamino-5,8-dihydroxy-2-(phenylthio)anthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.