TL;DR: Isoquinoline, 1,2,3,4-tetrahydro 2-(alpha-(p-chlorophenyl)benzyl)- (CAS 102395-76-6) is a chemical compound with molecular formula C22H20ClN and molecular weight 333.12842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline
Also Known As: 2-[(4-chlorophenyl)(phenyl)methyl]-1,2,3,4-tetrahydroisoquinoline, N-(4'-Chlorodiphenylmethyl)-1,2,3,4-tetrahydroisoquinoline, AB00980016-01, 2-[(4-chlorophenyl)-phenylmethyl]-3,4-dihydro-1H-isoquinoline, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO 2-(alpha-(p-CHLOROPHENYL)BENZYL)-
| Molecular Formula | C22H20ClN |
| Molecular Weight | 333.12842 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.12842 Da |
| Heavy Atoms | 24 |
| Complexity | 383.0 |
| SMILES | C1CN(CC2=CC=CC=C21)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl |
| InChIKey | CXCQFEOQOQSCFQ-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that Isoquinoline, 1,2,3,4-tetrahydro 2-(alpha-(p-chlorophenyl)benzyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Isoquinoline, 1,2,3,4-tetrahydro 2-(alpha-(p-chlorophenyl)benzyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1,2,3,4-tetrahydro 2-(alpha-(p-chlorophenyl)benzyl)- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Isoquinoline, 1,2,3,4-tetrahydro 2-(alpha-(p-chlorophenyl)benzyl)- is 102395-76-6.
The molecular formula of Isoquinoline, 1,2,3,4-tetrahydro 2-(alpha-(p-chlorophenyl)benzyl)- is C22H20ClN.
The molecular weight of Isoquinoline, 1,2,3,4-tetrahydro 2-(alpha-(p-chlorophenyl)benzyl)- is 333.12842 g/mol.
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