TL;DR: Ammonium, dimethyldodecyl(3-(p-nitrobenzamido)propyl)-, bromide (CAS 102571-26-6) is a chemical compound with molecular formula C24H42BrN3O3 and molecular weight 499.24094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dodecyl-dimethyl-[3-[(4-nitrobenzoyl)amino]propyl]azanium bromide
Also Known As: 3-(p-Nitrobenzamido)propyl-dimethyl-dodecyl ammonium bromide, AMMONIUM, DIMETHYLDODECYL(3-(p-NITROBENZAMIDO)PROPYL)-, BROMIDE, dodecyl-dimethyl-[3-[(4-nitrobenzoyl)amino]propyl]azanium bromide, dodecyl-dimethyl-[3-[(4-nitrobenzoyl)amino]propyl]azanium;bromide, 1-Dodecanaminium,N,N-dimethyl-N-[3-[(4-nitrobenzoyl)amino]propyl]-, bromide (1:1)
| Molecular Formula | C24H42BrN3O3 |
| Molecular Weight | 499.24094 g/mol |
| XLogP | 2.72 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 499.24094 Da |
| Heavy Atoms | 31 |
| Complexity | 469.0 |
| SMILES | CCCCCCCCCCCC[N+](C)(C)CCCNC(=O)C1=CC=C(C=C1)[N+](=O)[O-].[Br-] |
| InChIKey | DHPGPCFGGKCSRT-UHFFFAOYSA-N |
The XLogP value of 2.72 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, dimethyldodecyl(3-(p-nitrobenzamido)propyl)-, bromide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium, dimethyldodecyl(3-(p-nitrobenzamido)propyl)-, bromide. Following Lipinski's Rule of Five, Ammonium, dimethyldodecyl(3-(p-nitrobenzamido)propyl)-, bromide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ammonium, dimethyldodecyl(3-(p-nitrobenzamido)propyl)-, bromide is 102571-26-6.
The molecular formula of Ammonium, dimethyldodecyl(3-(p-nitrobenzamido)propyl)-, bromide is C24H42BrN3O3.
The molecular weight of Ammonium, dimethyldodecyl(3-(p-nitrobenzamido)propyl)-, bromide is 499.24094 g/mol.
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