TL;DR: Propanamide, N-(4-(8,9-dihydro-8-methyl-7-(1-oxopropyl)-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)phenyl)- (CAS 143691-63-8) is a chemical compound with molecular formula C23H25N3O4 and molecular weight 407.1845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(8-methyl-7-propanoyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]propanamide
Also Known As: Propanamide, N-(4-(8,9-dihydro-8-methyl-7-(1-oxopropyl)-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)phenyl)-, N-[4-(8-Methyl-7-propanoyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]propanamide
| Molecular Formula | C23H25N3O4 |
| Molecular Weight | 407.1845 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 80.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.1845 Da |
| Heavy Atoms | 30 |
| Complexity | 673.0 |
| SMILES | CCC(=O)NC1=CC=C(C=C1)C2=NN(C(CC3=CC4=C(C=C32)OCO4)C)C(=O)CC |
| InChIKey | KXSOVXOKIJTMIP-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that Propanamide, N-(4-(8,9-dihydro-8-methyl-7-(1-oxopropyl)-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanamide, N-(4-(8,9-dihydro-8-methyl-7-(1-oxopropyl)-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)phenyl)-. Following Lipinski's Rule of Five, Propanamide, N-(4-(8,9-dihydro-8-methyl-7-(1-oxopropyl)-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)phenyl)- 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 Propanamide, N-(4-(8,9-dihydro-8-methyl-7-(1-oxopropyl)-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)phenyl)- is 143691-63-8.
The molecular formula of Propanamide, N-(4-(8,9-dihydro-8-methyl-7-(1-oxopropyl)-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)phenyl)- is C23H25N3O4.
The molecular weight of Propanamide, N-(4-(8,9-dihydro-8-methyl-7-(1-oxopropyl)-7H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)phenyl)- is 407.1845 g/mol.
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