TL;DR: Gyki 52895 (CAS 114460-08-1) is a chemical compound with molecular formula C17H17N3O2 and molecular weight 295.13208 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-Aminophenyl)-4-methyl-7,8-
4-(8-methyl-8,9-dihydro-7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)aniline
Also Known As: GYKI 52895, Lopac0_000562, 2387AA, 1-(4-Aminophenyl)-4-methyl-7,8-, 4-(8-Methyl-8,9-dihydro-7H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d][1,2]diazepin-5-yl)aniline
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H17N3O2 |
| Molecular Weight | 295.13208 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 68.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.13208 Da |
| Heavy Atoms | 22 |
| Complexity | 434.0 |
| SMILES | CC1CC2=CC3=C(C=C2C(=NN1)C4=CC=C(C=C4)N)OCO3 |
| InChIKey | AQTITSBNGSVQNZ-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that Gyki 52895 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Gyki 52895. Following Lipinski's Rule of Five, Gyki 52895 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 Gyki 52895 is 114460-08-1.
The molecular formula of Gyki 52895 is C17H17N3O2.
The molecular weight of Gyki 52895 is 295.13208 g/mol.
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