TL;DR: Dibenz(c,f)azocine, 5,6,7,12-tetrahydro-6-(p-chloro-alpha-phenylbenzyl)- (CAS 16031-93-9) is a chemical compound with molecular formula C28H24ClN and molecular weight 409.15973 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-[(4-chlorophenyl)-phenylmethyl]-10,12-dihydro-5H-benzo[d][2]benzazocine
Also Known As: 5,6,7,12-Tetrahydro-6-(p-chloro-alpha-phenylbenzyl)dibenz(c,f)azocine, Dibenz(c,f)azocine, 5,6,7,12-tetrahydro-6-(p-chloro-alpha-phenylbenzyl)-, 6-[(4-Chlorophenyl)(phenyl)methyl]-5,6,7,12-tetrahydrodibenzo[c,f]azocine, 11-[(4-chlorophenyl)-phenylmethyl]-10,12-dihydro-5H-benzo[d][2]benzazocine
| Molecular Formula | C28H24ClN |
| Molecular Weight | 409.15973 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.15973 Da |
| Heavy Atoms | 30 |
| Complexity | 497.0 |
| SMILES | C1C2=CC=CC=C2CN(CC3=CC=CC=C31)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl |
| InChIKey | WWQCYFRAHRCGKA-UHFFFAOYSA-N |
The XLogP value of 7.1 indicates that Dibenz(c,f)azocine, 5,6,7,12-tetrahydro-6-(p-chloro-alpha-phenylbenzyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Dibenz(c,f)azocine, 5,6,7,12-tetrahydro-6-(p-chloro-alpha-phenylbenzyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenz(c,f)azocine, 5,6,7,12-tetrahydro-6-(p-chloro-alpha-phenylbenzyl)- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Dibenz(c,f)azocine, 5,6,7,12-tetrahydro-6-(p-chloro-alpha-phenylbenzyl)- is 16031-93-9.
The molecular formula of Dibenz(c,f)azocine, 5,6,7,12-tetrahydro-6-(p-chloro-alpha-phenylbenzyl)- is C28H24ClN.
The molecular weight of Dibenz(c,f)azocine, 5,6,7,12-tetrahydro-6-(p-chloro-alpha-phenylbenzyl)- is 409.15973 g/mol.
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