TL;DR: Carbonic acid, phenyl (alpha-(2-(1-pyrrolidinyl)ethyl)-2-thenyl) ester, hydrochloride (CAS 101911-91-5) is a chemical compound with molecular formula C18H22ClNO3S and molecular weight 367.1009 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
phenyl (3-pyrrolidin-1-yl-1-thiophen-2-ylpropyl) carbonate;hydrochloride
Also Known As: Carbonic acid, phenyl (alpha-(2-(1-pyrrolidinyl)ethyl)-2-thenyl) ester, hydrochloride, Phenyl (alpha-(2-(1-pyrrolidinyl)ethyl)-2-thenyl) carbonate hydrochloride, Carbonic acid, phenyl 3-(1-pyrrolidinyl)-1-(2-thienyl)propyl ester, hydrochloride, phenyl (3-pyrrolidin-1-yl-1-thiophen-2-ylpropyl) carbonate hydrochloride, (3-phenyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpropyl) hydrogen carbonate,hydrochloride
| Molecular Formula | C18H22ClNO3S |
| Molecular Weight | 367.1009 g/mol |
| XLogP | 4.9125 |
| Topological Polar Surface Area (TPSA) | 67.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 367.1009 Da |
| Heavy Atoms | 24 |
| Complexity | 367.0 |
| SMILES | C1CCN(C1)CCC(C2=CC=CS2)OC(=O)OC3=CC=CC=C3.Cl |
| InChIKey | XIBGPJNPPNSUSX-UHFFFAOYSA-N |
The XLogP value of 4.9125 indicates that Carbonic acid, phenyl (alpha-(2-(1-pyrrolidinyl)ethyl)-2-thenyl) ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonic acid, phenyl (alpha-(2-(1-pyrrolidinyl)ethyl)-2-thenyl) ester, hydrochloride. Following Lipinski's Rule of Five, Carbonic acid, phenyl (alpha-(2-(1-pyrrolidinyl)ethyl)-2-thenyl) ester, hydrochloride has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Carbonic acid, phenyl (alpha-(2-(1-pyrrolidinyl)ethyl)-2-thenyl) ester, hydrochloride is 101911-91-5.
The molecular formula of Carbonic acid, phenyl (alpha-(2-(1-pyrrolidinyl)ethyl)-2-thenyl) ester, hydrochloride is C18H22ClNO3S.
The molecular weight of Carbonic acid, phenyl (alpha-(2-(1-pyrrolidinyl)ethyl)-2-thenyl) ester, hydrochloride is 367.1009 g/mol.
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