9,10-Anthracenedione, 1-(methylamino)-4-(phenylamino)-
TL;DR: 9,10-Anthracenedione, 1-(methylamino)-4-(phenylamino)- (CAS 12769-16-3) is a chemical compound with molecular formula C21H16N2O2 and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-anilino-4-(methylamino)anthracene-9,10-dione
Also Known As: Oracet Blue B, Oracet Blue, Solvent blue 19, Disperse blue 24, C.I. Solvent Blue 19
| Molecular Formula | C21H16N2O2 |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.1212 |
| Heavy Atoms | 25 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 12769-16-3 |
|---|---|
| SMILES | CNC1=C2C(=C(C=C1)NC3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O |
| InChIKey | TVBNRFCUTVWHQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9,10-Anthracenedione, 1-(methylamino)-4-(phenylamino)- (CAS 12769-16-3), with molecular formula C21H16N2O2 and molecular weight 328.12 g/mol. IUPAC: 1-anilino-4-(methylamino)anthracene-9,10-dione.
Chemical Property Profile of 9,10-Anthracenedione, 1-(methylamino)-4-(phenylamino)-
Property Insights of 9,10-Anthracenedione, 1-(methylamino)-4-(phenylamino)-
The XLogP value of 5.5 indicates that 9,10-Anthracenedione, 1-(methylamino)-4-(phenylamino)- 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-(methylamino)-4-(phenylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1-(methylamino)-4-(phenylamino)- 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-(methylamino)-4-(phenylamino)-?
The CAS number of 9,10-Anthracenedione, 1-(methylamino)-4-(phenylamino)- is 12769-16-3.
What is the molecular formula of 9,10-Anthracenedione, 1-(methylamino)-4-(phenylamino)-?
The molecular formula of 9,10-Anthracenedione, 1-(methylamino)-4-(phenylamino)- is C21H16N2O2.
What is the molecular weight of 9,10-Anthracenedione, 1-(methylamino)-4-(phenylamino)-?
The molecular weight of 9,10-Anthracenedione, 1-(methylamino)-4-(phenylamino)- is 328.12 g/mol.
Where can I buy 9,10-Anthracenedione, 1-(methylamino)-4-(phenylamino)-?
You can request a quote for 9,10-Anthracenedione, 1-(methylamino)-4-(phenylamino)- 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-(methylamino)-4-(phenylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Anthracenedione, 1-(methylamino)-4-(phenylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.