9,10-Anthracenedione, 1,8-bis((4-methylphenyl)amino)-
TL;DR: 9,10-Anthracenedione, 1,8-bis((4-methylphenyl)amino)- (CAS 82-16-6) is a chemical compound with molecular formula C28H22N2O2 and molecular weight 418.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-bis(4-methylanilino)anthracene-9,10-dione
Also Known As: 1,8-p-Toluidinoanthraquinone, Diacerein Impurity 20, 9,10-Anthracenedione, 1,8-bis[(4-methylphenyl)amino]-, 1,8-bis(4-methylanilino)anthracene-9,10-dione, 1,8-Di-p-toluidinoanthraquinone
| Molecular Formula | C28H22N2O2 |
|---|---|
| Molecular Weight | 418.17 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.16812 |
| Heavy Atoms | 32 |
| Complexity | 623.0 |
Chemical Identifiers
| CAS Number | 82-16-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4NC5=CC=C(C=C5)C |
| InChIKey | YNPQDABMOAMHNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9,10-Anthracenedione, 1,8-bis((4-methylphenyl)amino)- (CAS 82-16-6), with molecular formula C28H22N2O2 and molecular weight 418.17 g/mol. IUPAC: 1,8-bis(4-methylanilino)anthracene-9,10-dione.
Chemical Property Profile of 9,10-Anthracenedione, 1,8-bis((4-methylphenyl)amino)-
Property Insights of 9,10-Anthracenedione, 1,8-bis((4-methylphenyl)amino)-
The XLogP value of 7.2 indicates that 9,10-Anthracenedione, 1,8-bis((4-methylphenyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 9,10-Anthracenedione, 1,8-bis((4-methylphenyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1,8-bis((4-methylphenyl)amino)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9,10-Anthracenedione, 1,8-bis((4-methylphenyl)amino)-?
The CAS number of 9,10-Anthracenedione, 1,8-bis((4-methylphenyl)amino)- is 82-16-6.
What is the molecular formula of 9,10-Anthracenedione, 1,8-bis((4-methylphenyl)amino)-?
The molecular formula of 9,10-Anthracenedione, 1,8-bis((4-methylphenyl)amino)- is C28H22N2O2.
What is the molecular weight of 9,10-Anthracenedione, 1,8-bis((4-methylphenyl)amino)-?
The molecular weight of 9,10-Anthracenedione, 1,8-bis((4-methylphenyl)amino)- is 418.17 g/mol.
Where can I buy 9,10-Anthracenedione, 1,8-bis((4-methylphenyl)amino)-?
You can request a quote for 9,10-Anthracenedione, 1,8-bis((4-methylphenyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Anthracenedione, 1,8-bis((4-methylphenyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Anthracenedione, 1,8-bis((4-methylphenyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.