TL;DR: Ammonium, (2-(p-amino-N-phenylbenzamido)ethyl)diethylmethyl-, bromide (CAS 100773-63-5) is a chemical compound with molecular formula C20H28BrN3O and molecular weight 405.14157 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(N-(4-aminobenzoyl)anilino)ethyl-diethyl-methylazanium bromide
Also Known As: Octagermane, (2-(p-Amino-N-phenylbenzamido)ethyl)diethylmethylammonium bromide, 2-[(4-aminobenzoyl)(phenyl)amino]-n,n-diethyl-n-methylethanaminium bromide, AMMONIUM, (2-(p-AMINO-N-PHENYLBENZAMIDO)ETHYL)DIETHYLMETHYL-, BROMIDE, 2-(N-(4-aminobenzoyl)anilino)ethyl-diethyl-methylazanium bromide
| Molecular Formula | C20H28BrN3O |
| Molecular Weight | 405.14157 g/mol |
| XLogP | 0.41 |
| Topological Polar Surface Area (TPSA) | 46.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.14157 Da |
| Heavy Atoms | 25 |
| Complexity | 380.0 |
| SMILES | CC[N+](C)(CC)CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)N.[Br-] |
| InChIKey | FOIGSPSSZBCGFP-UHFFFAOYSA-N |
The XLogP value of 0.41 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (2-(p-amino-N-phenylbenzamido)ethyl)diethylmethyl-, bromide. With a topological polar surface area (TPSA) of 46.3 Ų, Ammonium, (2-(p-amino-N-phenylbenzamido)ethyl)diethylmethyl-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (2-(p-amino-N-phenylbenzamido)ethyl)diethylmethyl-, bromide 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 Ammonium, (2-(p-amino-N-phenylbenzamido)ethyl)diethylmethyl-, bromide is 100773-63-5.
The molecular formula of Ammonium, (2-(p-amino-N-phenylbenzamido)ethyl)diethylmethyl-, bromide is C20H28BrN3O.
The molecular weight of Ammonium, (2-(p-amino-N-phenylbenzamido)ethyl)diethylmethyl-, bromide is 405.14157 g/mol.
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