TL;DR: Acetanilide, 3'-(2-(bis(2-bromoethyl)amino)ethyl)-4'-methoxy- (CAS 101651-56-3) is a chemical compound with molecular formula C15H22Br2N2O2 and molecular weight 420.0048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-[2-[bis(2-bromoethyl)amino]ethyl]-4-methoxyphenyl]acetamide
Also Known As: ACETANILIDE, 3'-(2-(BIS(2-BROMOETHYL)AMINO)ETHYL)-4'-METHOXY-, 3-Bis(2-bromoethyl)aminoethyl-4-methoxy-acetamidobenzene, N-[3-[2-[bis(2-bromoethyl)amino]ethyl]-4-methoxyphenyl]acetamide, 3'-(2-(Bis(2-bromoethyl)amino)ethyl)-4'-methoxyacetanilide, n-(3-{2-[bis(2-bromoethyl)amino]ethyl}-4-methoxyphenyl)acetamide
| Molecular Formula | C15H22Br2N2O2 |
| Molecular Weight | 420.0048 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 422.00275 Da |
| Heavy Atoms | 21 |
| Complexity | 299.0 |
| SMILES | CC(=O)NC1=CC(=C(C=C1)OC)CCN(CCBr)CCBr |
| InChIKey | WYAAUUXICVWPIF-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that Acetanilide, 3'-(2-(bis(2-bromoethyl)amino)ethyl)-4'-methoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, Acetanilide, 3'-(2-(bis(2-bromoethyl)amino)ethyl)-4'-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetanilide, 3'-(2-(bis(2-bromoethyl)amino)ethyl)-4'-methoxy- 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 Acetanilide, 3'-(2-(bis(2-bromoethyl)amino)ethyl)-4'-methoxy- is 101651-56-3.
The molecular formula of Acetanilide, 3'-(2-(bis(2-bromoethyl)amino)ethyl)-4'-methoxy- is C15H22Br2N2O2.
The molecular weight of Acetanilide, 3'-(2-(bis(2-bromoethyl)amino)ethyl)-4'-methoxy- is 420.0048 g/mol.
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