TL;DR: 2-(2-chlorobenzyl)-1-[4-(diethylamino)phenyl]octahydroisoquinolin-4a(2H)-ol (CAS 1008225-04-4) is a chemical compound with molecular formula C26H35ClN2O and molecular weight 426.2438 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-chlorophenyl)methyl]-1-[4-(diethylamino)phenyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
Also Known As: 2-(2-chlorobenzyl)-1-[4-(diethylamino)phenyl]octahydroisoquinolin-4a(2H)-ol, 2-(2-chlorobenzyl)-1-(4-(diethylamino)phenyl)decahydroisoquinolin-4a-ol, 2-[(2-chlorophenyl)methyl]-1-[4-(diethylamino)phenyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol, 2-(2-CHLOROBENZYL)-1-[4-(DIETHYLAMINO)PHENYL]OCTAHYDRO-4A(2H)-ISOQUINOLINOL, 2-[(2-chlorophenyl)methyl]-1-(4-diethylaminophenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
| Molecular Formula | C26H35ClN2O |
| Molecular Weight | 426.2438 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 26.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.2438 Da |
| Heavy Atoms | 30 |
| Complexity | 533.0 |
| SMILES | CCN(CC)C1=CC=C(C=C1)C2C3CCCCC3(CCN2CC4=CC=CC=C4Cl)O |
| InChIKey | FHTHNPSINGICMV-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 2-(2-chlorobenzyl)-1-[4-(diethylamino)phenyl]octahydroisoquinolin-4a(2H)-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.7 Ų, 2-(2-chlorobenzyl)-1-[4-(diethylamino)phenyl]octahydroisoquinolin-4a(2H)-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-chlorobenzyl)-1-[4-(diethylamino)phenyl]octahydroisoquinolin-4a(2H)-ol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(2-chlorobenzyl)-1-[4-(diethylamino)phenyl]octahydroisoquinolin-4a(2H)-ol is 1008225-04-4.
The molecular formula of 2-(2-chlorobenzyl)-1-[4-(diethylamino)phenyl]octahydroisoquinolin-4a(2H)-ol is C26H35ClN2O.
The molecular weight of 2-(2-chlorobenzyl)-1-[4-(diethylamino)phenyl]octahydroisoquinolin-4a(2H)-ol is 426.2438 g/mol.
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