1-Amino-4-(phenylthio)anthraquinone
TL;DR: 1-Amino-4-(phenylthio)anthraquinone (CAS 13483-52-8) is a chemical compound with molecular formula C20H13NO2S and molecular weight 331.0667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-amino-4-phenylsulfanylanthracene-9,10-dione
Also Known As: 1-Amino-4-(phenylthio)anthraquinone, 3,5-dimethylbenzohydrazide, 9,10-Anthracenedione, 1-amino-4-(phenylthio)-, 1-amino-4-phenylmercaptoanthraquinone, 1-Amino-4-(phenylthio)-9,10-anthracenedione
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H13NO2S |
| Molecular Weight | 331.0667 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 85.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.0667 Da |
| Heavy Atoms | 24 |
| Complexity | 502.0 |
| SMILES | C1=CC=C(C=C1)SC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O |
| InChIKey | LTOKWJHRFGVTLE-UHFFFAOYSA-N |
Chemical Property Profile of 1-Amino-4-(phenylthio)anthraquinone
Property Insights of 1-Amino-4-(phenylthio)anthraquinone
The XLogP value of 4.8 indicates that 1-Amino-4-(phenylthio)anthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amino-4-(phenylthio)anthraquinone. Following Lipinski's Rule of Five, 1-Amino-4-(phenylthio)anthraquinone has 1 hydrogen bond donor(s) and 4 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-Amino-4-(phenylthio)anthraquinone?
The CAS number of 1-Amino-4-(phenylthio)anthraquinone is 13483-52-8.
What is the molecular formula of 1-Amino-4-(phenylthio)anthraquinone?
The molecular formula of 1-Amino-4-(phenylthio)anthraquinone is C20H13NO2S.
What is the molecular weight of 1-Amino-4-(phenylthio)anthraquinone?
The molecular weight of 1-Amino-4-(phenylthio)anthraquinone is 331.0667 g/mol.
Where can I buy 1-Amino-4-(phenylthio)anthraquinone?
You can request a quote for 1-Amino-4-(phenylthio)anthraquinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Amino-4-(phenylthio)anthraquinone?
Yes, CoreyChem provides custom synthesis services for 1-Amino-4-(phenylthio)anthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.