TL;DR: Dibenzyl-[5-(dibenzylamino)penta-2,4-dienylidene]azanium chloride (CAS 63957-48-2) is a chemical compound with molecular formula C33H33ClN2 and molecular weight 492.23322 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dibenzyl-[5-(dibenzylamino)penta-2,4-dienylidene]azanium chloride
Also Known As: N,N-Dibenzyl-5-(dibenzylamino)penta-2,4-dien-1-iminium chloride
| Molecular Formula | C33H33ClN2 |
| Molecular Weight | 492.23322 g/mol |
| XLogP | 4.25 |
| Topological Polar Surface Area (TPSA) | 6.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 492.23322 Da |
| Heavy Atoms | 36 |
| Complexity | 542.0 |
| SMILES | C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C=CC=CC=[N+](CC3=CC=CC=C3)CC4=CC=CC=C4.[Cl-] |
| InChIKey | BJCWIQWIQDDOBQ-UHFFFAOYSA-M |
The XLogP value of 4.25 indicates that Dibenzyl-[5-(dibenzylamino)penta-2,4-dienylidene]azanium chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.3 Ų, Dibenzyl-[5-(dibenzylamino)penta-2,4-dienylidene]azanium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzyl-[5-(dibenzylamino)penta-2,4-dienylidene]azanium chloride has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Dibenzyl-[5-(dibenzylamino)penta-2,4-dienylidene]azanium chloride is 63957-48-2.
The molecular formula of Dibenzyl-[5-(dibenzylamino)penta-2,4-dienylidene]azanium chloride is C33H33ClN2.
The molecular weight of Dibenzyl-[5-(dibenzylamino)penta-2,4-dienylidene]azanium chloride is 492.23322 g/mol.
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