1-Hydroxy-4-((4-((methylsulphonyl)oxy)phenyl)amino)anthraquinone
TL;DR: 1-Hydroxy-4-((4-((methylsulphonyl)oxy)phenyl)amino)anthraquinone (CAS 1594-08-7) is a chemical compound with molecular formula C21H15NO6S and molecular weight 409.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl] methanesulfonate
Also Known As: Disperse Violet 57, C.I.Disperse Violet 57, 9,10-Anthracenedione, 1-hydroxy-4-[[4-[(methylsulfonyl)oxy]phenyl]amino]-, 1-Hydroxy-4-((4-((methylsulphonyl)oxy)phenyl)amino)anthraquinone, [4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl] methanesulfonate
| Molecular Formula | C21H15NO6S |
|---|---|
| Molecular Weight | 409.06 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.062 |
| Heavy Atoms | 29 |
| Complexity | 739.0 |
Chemical Identifiers
| CAS Number | 1594-08-7 |
|---|---|
| SMILES | CS(=O)(=O)OC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O |
| InChIKey | NTZOUXAZCADJBZ-UHFFFAOYSA-N |
Product Overview
1-Hydroxy-4-((4-((methylsulphonyl)oxy)phenyl)amino)anthraquinone (CAS 1594-08-7), with molecular formula C21H15NO6S and molecular weight 409.06 g/mol. IUPAC: [4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl] methanesulfonate.
Chemical Property Profile of 1-Hydroxy-4-((4-((methylsulphonyl)oxy)phenyl)amino)anthraquinone
Property Insights of 1-Hydroxy-4-((4-((methylsulphonyl)oxy)phenyl)amino)anthraquinone
The XLogP value of 4.7 indicates that 1-Hydroxy-4-((4-((methylsulphonyl)oxy)phenyl)amino)anthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Hydroxy-4-((4-((methylsulphonyl)oxy)phenyl)amino)anthraquinone. Following Lipinski's Rule of Five, 1-Hydroxy-4-((4-((methylsulphonyl)oxy)phenyl)amino)anthraquinone has 2 hydrogen bond donor(s) and 7 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-Hydroxy-4-((4-((methylsulphonyl)oxy)phenyl)amino)anthraquinone?
The CAS number of 1-Hydroxy-4-((4-((methylsulphonyl)oxy)phenyl)amino)anthraquinone is 1594-08-7.
What is the molecular formula of 1-Hydroxy-4-((4-((methylsulphonyl)oxy)phenyl)amino)anthraquinone?
The molecular formula of 1-Hydroxy-4-((4-((methylsulphonyl)oxy)phenyl)amino)anthraquinone is C21H15NO6S.
What is the molecular weight of 1-Hydroxy-4-((4-((methylsulphonyl)oxy)phenyl)amino)anthraquinone?
The molecular weight of 1-Hydroxy-4-((4-((methylsulphonyl)oxy)phenyl)amino)anthraquinone is 409.06 g/mol.
Where can I buy 1-Hydroxy-4-((4-((methylsulphonyl)oxy)phenyl)amino)anthraquinone?
You can request a quote for 1-Hydroxy-4-((4-((methylsulphonyl)oxy)phenyl)amino)anthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxy-4-((4-((methylsulphonyl)oxy)phenyl)amino)anthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxy-4-((4-((methylsulphonyl)oxy)phenyl)amino)anthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.