TL;DR: Pyrrolidine, 1-tert-butyl-3-(p-chloro-alpha-phenylbenzyloxy)-, hydrochloride (CAS 102584-35-0) is a chemical compound with molecular formula C21H27Cl2NO and molecular weight 379.14697 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-tert-butyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine;hydrochloride
Also Known As: AHR 226, 1-tert-Butyl-3-(p-chloro-alpha-phenylbenzyloxy)pyrrolidine hydrochloride, Pyrrolidine, 1-tert-butyl-3-(p-chloro-alpha-phenylbenzyloxy)-, hydrochloride, 1-tert-butyl-3-[(4-chlorophenyl)-phenylmethoxy]pyrrolidine;hydrochloride, 1-tert-Butyl-3-(p-chloro-alpha-phenylbenzyloxy)pyrrolidine hydrochlori de
| Molecular Formula | C21H27Cl2NO |
| Molecular Weight | 379.14697 g/mol |
| XLogP | 5.7406 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.14697 Da |
| Heavy Atoms | 25 |
| Complexity | 380.0 |
| SMILES | CC(C)(C)N1CCC(C1)OC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl |
| InChIKey | QIQHLABNZUORBQ-UHFFFAOYSA-N |
The XLogP value of 5.7406 indicates that Pyrrolidine, 1-tert-butyl-3-(p-chloro-alpha-phenylbenzyloxy)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, Pyrrolidine, 1-tert-butyl-3-(p-chloro-alpha-phenylbenzyloxy)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine, 1-tert-butyl-3-(p-chloro-alpha-phenylbenzyloxy)-, hydrochloride has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Pyrrolidine, 1-tert-butyl-3-(p-chloro-alpha-phenylbenzyloxy)-, hydrochloride is 102584-35-0.
The molecular formula of Pyrrolidine, 1-tert-butyl-3-(p-chloro-alpha-phenylbenzyloxy)-, hydrochloride is C21H27Cl2NO.
The molecular weight of Pyrrolidine, 1-tert-butyl-3-(p-chloro-alpha-phenylbenzyloxy)-, hydrochloride is 379.14697 g/mol.
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