TL;DR: (1-Ethylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen chloride (1/1) (CAS 3411-42-5) is a chemical compound with molecular formula C23H30ClNO3 and molecular weight 403.1914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-ethylpyrrolidin-1-ium-2-yl)methyl 2-ethoxy-2,2-diphenylacetate chloride
Also Known As: Acetic acid, 2,2-diphenyl-2-ethoxy-, (1-ethyl-2-pyrrolidinyl)methyl ester, hydrochloride, 2,2-Diphenyl-2-ethoxyacetic acid (1-ethyl-2-pyrrolidinyl)methyl ester hydrochloride, (1-ethylpyrrolidin-1-ium-2-yl)methyl 2-ethoxy-2,2-diphenylacetate chloride, (1-Ethylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen chloride (1/1), Acetic acid, ethoxydiphenyl-, (1-ethyl-2-pyrrolidinyl)methyl ester, hydrochloride
| Molecular Formula | C23H30ClNO3 |
| Molecular Weight | 403.1914 g/mol |
| XLogP | -0.42 |
| Topological Polar Surface Area (TPSA) | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 403.1914 Da |
| Heavy Atoms | 28 |
| Complexity | 437.0 |
| SMILES | CC[NH+]1CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC.[Cl-] |
| InChIKey | UNBNMAIWASGESC-UHFFFAOYSA-N |
The XLogP value of -0.42 indicates that (1-Ethylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, (1-Ethylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Ethylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen chloride (1/1) has 1 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-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen chloride (1/1) is 3411-42-5.
The molecular formula of (1-Ethylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen chloride (1/1) is C23H30ClNO3.
The molecular weight of (1-Ethylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen chloride (1/1) is 403.1914 g/mol.
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