TL;DR: Benzenamine, 4,4'-(4,4-diphenyl-1,3-butadienylidene)bis[N,N-diethyl- (CAS 109995-82-6) is a chemical compound with molecular formula C36H40N2 and molecular weight 500.31915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[1-[4-(diethylamino)phenyl]-4,4-diphenylbuta-1,3-dienyl]-N,N-diethylaniline
Also Known As: 1,1-BIS(4-DIETHYLAMINOPHENYL)-4,4-DIPHENYL-1,3-BUTADIENE, 1-Quinoxalin-2-yl-piperidin-3-ol, 1,1-bis(p-diethylaminophenyl)-4,4-diphenyl-1,3-butadiene, 4-[1-[4-(diethylamino)phenyl]-4,4-diphenylbuta-1,3-dienyl]-N,N-diethylaniline, Benzenamine,4,4'-(4,4-diphenyl-1,3-butadien-1-ylidene)bis[N,N-diethyl-
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C36H40N2 |
| Molecular Weight | 500.31915 g/mol |
| XLogP | 10.3 |
| Topological Polar Surface Area (TPSA) | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 500.31915 Da |
| Heavy Atoms | 38 |
| Complexity | 648.0 |
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=CC=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)N(CC)CC |
| InChIKey | MNEPURVJQJNPQW-UHFFFAOYSA-N |
The XLogP value of 10.3 indicates that Benzenamine, 4,4'-(4,4-diphenyl-1,3-butadienylidene)bis[N,N-diethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, Benzenamine, 4,4'-(4,4-diphenyl-1,3-butadienylidene)bis[N,N-diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, 4,4'-(4,4-diphenyl-1,3-butadienylidene)bis[N,N-diethyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzenamine, 4,4'-(4,4-diphenyl-1,3-butadienylidene)bis[N,N-diethyl- is 109995-82-6.
The molecular formula of Benzenamine, 4,4'-(4,4-diphenyl-1,3-butadienylidene)bis[N,N-diethyl- is C36H40N2.
The molecular weight of Benzenamine, 4,4'-(4,4-diphenyl-1,3-butadienylidene)bis[N,N-diethyl- is 500.31915 g/mol.
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