TL;DR: 3-Amino-1-methyl-5-phenyl-1H-benzo[E][1,4]diazepin-2(3H)-one (CAS 103343-66-4) is a chemical compound with molecular formula C16H15N3O and molecular weight 265.12152 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
Also Known As: 3-AMINO-1-METHYL-5-PHENYL-1H-BENZO[E][1,4]DIAZEPIN-2(3H)-ONE, 3-amino-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one, 3-Amino-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one, (N-tert-Butoxycarbonyl-D-leucyl)diazomethane, 3-amino-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one
| Molecular Formula | C16H15N3O |
| Molecular Weight | 265.12152 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 58.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.12152 Da |
| Heavy Atoms | 20 |
| Complexity | 401.0 |
| SMILES | CN1C2=CC=CC=C2C(=NC(C1=O)N)C3=CC=CC=C3 |
| InChIKey | MWASGDJOVNIDEM-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1-methyl-5-phenyl-1H-benzo[E][1,4]diazepin-2(3H)-one. With a topological polar surface area (TPSA) of 58.7 Ų, 3-Amino-1-methyl-5-phenyl-1H-benzo[E][1,4]diazepin-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-1-methyl-5-phenyl-1H-benzo[E][1,4]diazepin-2(3H)-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Amino-1-methyl-5-phenyl-1H-benzo[E][1,4]diazepin-2(3H)-one is 103343-66-4.
The molecular formula of 3-Amino-1-methyl-5-phenyl-1H-benzo[E][1,4]diazepin-2(3H)-one is C16H15N3O.
The molecular weight of 3-Amino-1-methyl-5-phenyl-1H-benzo[E][1,4]diazepin-2(3H)-one is 265.12152 g/mol.
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