1-Amino-4-((4-methylphenyl)amino)-2-(phenylsulphonyl)anthraquinone
TL;DR: 1-Amino-4-((4-methylphenyl)amino)-2-(phenylsulphonyl)anthraquinone (CAS 5268-51-9) is a chemical compound with molecular formula C27H20N2O4S and molecular weight 468.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-2-(benzenesulfonyl)-4-(4-methylanilino)anthracene-9,10-dione
Also Known As: 1-amino-4-[amino]-2- anthraquinone, 1-amino-4-[ amino]-2- anthraquinone, 1-Amino-4-((4-methylphenyl)amino)-2-(phenylsulphonyl)anthraquinone, 1-amino-2-(benzenesulfonyl)-4-(4-methylanilino)anthracene-9,10-dione, 1-Amino-2-(phenylsulfonyl)-4-(p-tolylamino)anthracene-9,10-dione
| Molecular Formula | C27H20N2O4S |
|---|---|
| Molecular Weight | 468.11 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.11438 |
| Heavy Atoms | 34 |
| Complexity | 870.0 |
Chemical Identifiers
| CAS Number | 5268-51-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)C5=CC=CC=C5 |
| InChIKey | HGEORFVMRAZOSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Amino-4-((4-methylphenyl)amino)-2-(phenylsulphonyl)anthraquinone (CAS 5268-51-9), with molecular formula C27H20N2O4S and molecular weight 468.11 g/mol. IUPAC: 1-amino-2-(benzenesulfonyl)-4-(4-methylanilino)anthracene-9,10-dione.
Chemical Property Profile of 1-Amino-4-((4-methylphenyl)amino)-2-(phenylsulphonyl)anthraquinone
Property Insights of 1-Amino-4-((4-methylphenyl)amino)-2-(phenylsulphonyl)anthraquinone
The XLogP value of 6.0 indicates that 1-Amino-4-((4-methylphenyl)amino)-2-(phenylsulphonyl)anthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amino-4-((4-methylphenyl)amino)-2-(phenylsulphonyl)anthraquinone. Following Lipinski's Rule of Five, 1-Amino-4-((4-methylphenyl)amino)-2-(phenylsulphonyl)anthraquinone has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Amino-4-((4-methylphenyl)amino)-2-(phenylsulphonyl)anthraquinone?
The CAS number of 1-Amino-4-((4-methylphenyl)amino)-2-(phenylsulphonyl)anthraquinone is 5268-51-9.
What is the molecular formula of 1-Amino-4-((4-methylphenyl)amino)-2-(phenylsulphonyl)anthraquinone?
The molecular formula of 1-Amino-4-((4-methylphenyl)amino)-2-(phenylsulphonyl)anthraquinone is C27H20N2O4S.
What is the molecular weight of 1-Amino-4-((4-methylphenyl)amino)-2-(phenylsulphonyl)anthraquinone?
The molecular weight of 1-Amino-4-((4-methylphenyl)amino)-2-(phenylsulphonyl)anthraquinone is 468.11 g/mol.
Where can I buy 1-Amino-4-((4-methylphenyl)amino)-2-(phenylsulphonyl)anthraquinone?
You can request a quote for 1-Amino-4-((4-methylphenyl)amino)-2-(phenylsulphonyl)anthraquinone 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-((4-methylphenyl)amino)-2-(phenylsulphonyl)anthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-4-((4-methylphenyl)amino)-2-(phenylsulphonyl)anthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.