TL;DR: 1-Ethylpyrrolidin-3-yl cyclohexyl(hydroxy)phenylacetate--hydrogen chloride (1/1) (CAS 101564-28-7) is a chemical compound with molecular formula C20H30ClNO3 and molecular weight 367.1914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-ethylpyrrolidin-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride
Also Known As: AHR 484, alpha-Phenylcyclohexaneglycolic acid 1-ethyl-3-pyrrolidinyl ester hydrochloride, Cyclohexaneglycolic acid, alpha-phenyl-, 1-ethyl-3-pyrrolidinyl ester, hydrochloride, 1-Ethylpyrrolidin-3-yl cyclohexyl(hydroxy)phenylacetate--hydrogen chloride (1/1), (1-ethylpyrrolidin-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate hydrochloride
| Molecular Formula | C20H30ClNO3 |
| Molecular Weight | 367.1914 g/mol |
| XLogP | 3.5137 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.1914 Da |
| Heavy Atoms | 25 |
| Complexity | 415.0 |
| SMILES | CCN1CCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O.Cl |
| InChIKey | INHLKDFZWDSGPC-UHFFFAOYSA-N |
The XLogP value of 3.5137 indicates that 1-Ethylpyrrolidin-3-yl cyclohexyl(hydroxy)phenylacetate--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 1-Ethylpyrrolidin-3-yl cyclohexyl(hydroxy)phenylacetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethylpyrrolidin-3-yl cyclohexyl(hydroxy)phenylacetate--hydrogen chloride (1/1) has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Ethylpyrrolidin-3-yl cyclohexyl(hydroxy)phenylacetate--hydrogen chloride (1/1) is 101564-28-7.
The molecular formula of 1-Ethylpyrrolidin-3-yl cyclohexyl(hydroxy)phenylacetate--hydrogen chloride (1/1) is C20H30ClNO3.
The molecular weight of 1-Ethylpyrrolidin-3-yl cyclohexyl(hydroxy)phenylacetate--hydrogen chloride (1/1) is 367.1914 g/mol.
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