TL;DR: 2-Anthracenecarbonitrile, 1-amino-4-(ethylamino)-9,10-dihydro-9,10-dioxo- (CAS 62570-50-7) is a chemical compound with molecular formula C17H13N3O2 and molecular weight 291.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-amino-4-(ethylamino)-9,10-dioxoanthracene-2-carbonitrile
Also Known As: Disperse Blue 359, 1-Amino-4-(ethylamino)-9,10-dioxo-9,10-dihydroanthracene-2-carbonitrile, C.I. DISPERSE BLUE 359, 1-Amino-4-(ethylamino)-9,10-dihydro-9,10-dioxoanthracene-2-carbonitrile, Disperse Blue 359 (Technical Grade)
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H13N3O2 |
| Molecular Weight | 291.10077 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 96.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.10077 Da |
| Heavy Atoms | 22 |
| Complexity | 523.0 |
| SMILES | CCNC1=C2C(=C(C(=C1)C#N)N)C(=O)C3=CC=CC=C3C2=O |
| InChIKey | ATXPWKWYLDEURI-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 2-Anthracenecarbonitrile, 1-amino-4-(ethylamino)-9,10-dihydro-9,10-dioxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Anthracenecarbonitrile, 1-amino-4-(ethylamino)-9,10-dihydro-9,10-dioxo-. Following Lipinski's Rule of Five, 2-Anthracenecarbonitrile, 1-amino-4-(ethylamino)-9,10-dihydro-9,10-dioxo- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Anthracenecarbonitrile, 1-amino-4-(ethylamino)-9,10-dihydro-9,10-dioxo- is 62570-50-7.
The molecular formula of 2-Anthracenecarbonitrile, 1-amino-4-(ethylamino)-9,10-dihydro-9,10-dioxo- is C17H13N3O2.
The molecular weight of 2-Anthracenecarbonitrile, 1-amino-4-(ethylamino)-9,10-dihydro-9,10-dioxo- is 291.10077 g/mol.
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