Anthraquinone, 1-amino-2-benzylthio-4-hydroxy-
TL;DR: Anthraquinone, 1-amino-2-benzylthio-4-hydroxy- (CAS 64046-92-0) is a chemical compound with molecular formula C21H15NO3S and molecular weight 361.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-2-benzylsulfanyl-4-hydroxyanthracene-9,10-dione
Also Known As: ANTHRAQUINONE, 1-AMINO-2-BENZYLTHIO-4-HYDROXY-, 1-Amino-2-benzylmercapto-4-hydroxyanthraquinone, 1-amino-2-benzylsulfanyl-4-hydroxyanthracene-9,10-dione, 1-AMINO-2-(BENZYLSULFANYL)-4-HYDROXYANTHRACENE-9,10-DIONE, 9,10-Anthracenedione, 1-amino-4-hydroxy-2-[(phenylmethyl)thio]-
| Molecular Formula | C21H15NO3S |
|---|---|
| Molecular Weight | 361.08 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.07727 |
| Heavy Atoms | 26 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 64046-92-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N |
| InChIKey | CAGMRPBJBPDUIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Anthraquinone, 1-amino-2-benzylthio-4-hydroxy- (CAS 64046-92-0), with molecular formula C21H15NO3S and molecular weight 361.08 g/mol. IUPAC: 1-amino-2-benzylsulfanyl-4-hydroxyanthracene-9,10-dione.
Chemical Property Profile of Anthraquinone, 1-amino-2-benzylthio-4-hydroxy-
Property Insights of Anthraquinone, 1-amino-2-benzylthio-4-hydroxy-
The XLogP value of 4.9 indicates that Anthraquinone, 1-amino-2-benzylthio-4-hydroxy- 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 Anthraquinone, 1-amino-2-benzylthio-4-hydroxy-. Following Lipinski's Rule of Five, Anthraquinone, 1-amino-2-benzylthio-4-hydroxy- 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 Anthraquinone, 1-amino-2-benzylthio-4-hydroxy-?
The CAS number of Anthraquinone, 1-amino-2-benzylthio-4-hydroxy- is 64046-92-0.
What is the molecular formula of Anthraquinone, 1-amino-2-benzylthio-4-hydroxy-?
The molecular formula of Anthraquinone, 1-amino-2-benzylthio-4-hydroxy- is C21H15NO3S.
What is the molecular weight of Anthraquinone, 1-amino-2-benzylthio-4-hydroxy-?
The molecular weight of Anthraquinone, 1-amino-2-benzylthio-4-hydroxy- is 361.08 g/mol.
Where can I buy Anthraquinone, 1-amino-2-benzylthio-4-hydroxy-?
You can request a quote for Anthraquinone, 1-amino-2-benzylthio-4-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anthraquinone, 1-amino-2-benzylthio-4-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Anthraquinone, 1-amino-2-benzylthio-4-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.