1-Amino-4-hydroxy-2-(phenylthio)-9,10-anthracenedione
TL;DR: 1-Amino-4-hydroxy-2-(phenylthio)-9,10-anthracenedione (CAS 62591-95-1) is a chemical compound with molecular formula C20H13NO3S and molecular weight 347.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-hydroxy-2-phenylsulfanylanthracene-9,10-dione
Also Known As: 1-Amino-4-hydroxy-2-(phenylthio)anthraquinone, 1-amino-4-hydroxy-2- anthraquinone, 1-Amino-2-thiophenyl-4-hydrooxyanthraquinone, Anthraquinone, 1-amino-4-hydroxy-2-(mercaptophenyl)-, 1-Amino-4-hydroxy-2-phenylthioanthraquinone
| Molecular Formula | C20H13NO3S |
|---|---|
| Molecular Weight | 347.06 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.0616 |
| Heavy Atoms | 25 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 62591-95-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N |
| InChIKey | KBLRWVXBAOMMNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Amino-4-hydroxy-2-(phenylthio)-9,10-anthracenedione (CAS 62591-95-1), with molecular formula C20H13NO3S and molecular weight 347.06 g/mol. IUPAC: 1-amino-4-hydroxy-2-phenylsulfanylanthracene-9,10-dione.
Chemical Property Profile of 1-Amino-4-hydroxy-2-(phenylthio)-9,10-anthracenedione
Property Insights of 1-Amino-4-hydroxy-2-(phenylthio)-9,10-anthracenedione
The XLogP value of 5.0 indicates that 1-Amino-4-hydroxy-2-(phenylthio)-9,10-anthracenedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amino-4-hydroxy-2-(phenylthio)-9,10-anthracenedione. Following Lipinski's Rule of Five, 1-Amino-4-hydroxy-2-(phenylthio)-9,10-anthracenedione has 2 hydrogen bond donor(s) and 5 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 1-Amino-4-hydroxy-2-(phenylthio)-9,10-anthracenedione?
The CAS number of 1-Amino-4-hydroxy-2-(phenylthio)-9,10-anthracenedione is 62591-95-1.
What is the molecular formula of 1-Amino-4-hydroxy-2-(phenylthio)-9,10-anthracenedione?
The molecular formula of 1-Amino-4-hydroxy-2-(phenylthio)-9,10-anthracenedione is C20H13NO3S.
What is the molecular weight of 1-Amino-4-hydroxy-2-(phenylthio)-9,10-anthracenedione?
The molecular weight of 1-Amino-4-hydroxy-2-(phenylthio)-9,10-anthracenedione is 347.06 g/mol.
Where can I buy 1-Amino-4-hydroxy-2-(phenylthio)-9,10-anthracenedione?
You can request a quote for 1-Amino-4-hydroxy-2-(phenylthio)-9,10-anthracenedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Amino-4-hydroxy-2-(phenylthio)-9,10-anthracenedione?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-4-hydroxy-2-(phenylthio)-9,10-anthracenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.