TL;DR: 7H-1,3-Dioxolo(4,5-h)(2,3)benzodiazepine, 8,9-dihydro-7-acetyl-5-(4-(formylamino)phenyl)-8-methyl- (CAS 143691-64-9) is a chemical compound with molecular formula C20H19N3O4 and molecular weight 365.13754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(7-acetyl-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]formamide
Also Known As: 7H-1,3-Dioxolo(4,5-h)(2,3)benzodiazepine, 8,9-dihydro-7-acetyl-5-(4-(formylamino)phenyl)-8-methyl-, [4-(7-Acetyl-8-methyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]methanimidic acid
| Molecular Formula | C20H19N3O4 |
| Molecular Weight | 365.13754 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 80.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.13754 Da |
| Heavy Atoms | 27 |
| Complexity | 602.0 |
| SMILES | CC1CC2=CC3=C(C=C2C(=NN1C(=O)C)C4=CC=C(C=C4)NC=O)OCO3 |
| InChIKey | MDXZLKBLGBTWIR-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7H-1,3-Dioxolo(4,5-h)(2,3)benzodiazepine, 8,9-dihydro-7-acetyl-5-(4-(formylamino)phenyl)-8-methyl-. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 7H-1,3-Dioxolo(4,5-h)(2,3)benzodiazepine, 8,9-dihydro-7-acetyl-5-(4-(formylamino)phenyl)-8-methyl-. Following Lipinski's Rule of Five, 7H-1,3-Dioxolo(4,5-h)(2,3)benzodiazepine, 8,9-dihydro-7-acetyl-5-(4-(formylamino)phenyl)-8-methyl- has 1 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 7H-1,3-Dioxolo(4,5-h)(2,3)benzodiazepine, 8,9-dihydro-7-acetyl-5-(4-(formylamino)phenyl)-8-methyl- is 143691-64-9.
The molecular formula of 7H-1,3-Dioxolo(4,5-h)(2,3)benzodiazepine, 8,9-dihydro-7-acetyl-5-(4-(formylamino)phenyl)-8-methyl- is C20H19N3O4.
The molecular weight of 7H-1,3-Dioxolo(4,5-h)(2,3)benzodiazepine, 8,9-dihydro-7-acetyl-5-(4-(formylamino)phenyl)-8-methyl- is 365.13754 g/mol.
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