TL;DR: 2-(Diethylamino)ethyl (1H-indol-3-yl)(phenyl)acetate--hydrogen chloride (1/1) (CAS 51050-51-2) is a chemical compound with molecular formula C22H27ClN2O2 and molecular weight 386.17612 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-[2-[2-(1H-indol-3-yl)-2-phenylacetyl]oxyethyl]azanium chloride
Also Known As: N,N-Diethylaminoethyl indol-3-ylphenylacetate hydrochloride, alpha-Phenylindole-3-acetic acid 2-(diethylamino)ethyl ester hydrochloride, INDOLE-3-ACETIC ACID, alpha-PHENYL-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE, diethyl-[2-[2-(1H-indol-3-yl)-2-phenylacetyl]oxyethyl]azanium chloride, 2-(Diethylamino)ethyl (1H-indol-3-yl)(phenyl)acetate--hydrogen chloride (1/1)
| Molecular Formula | C22H27ClN2O2 |
| Molecular Weight | 386.17612 g/mol |
| XLogP | -0.23 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 386.17612 Da |
| Heavy Atoms | 27 |
| Complexity | 432.0 |
| SMILES | CC[NH+](CC)CCOC(=O)C(C1=CC=CC=C1)C2=CNC3=CC=CC=C32.[Cl-] |
| InChIKey | FYQHAWAKUYIWEF-UHFFFAOYSA-N |
The XLogP value of -0.23 indicates that 2-(Diethylamino)ethyl (1H-indol-3-yl)(phenyl)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 46.5 Ų, 2-(Diethylamino)ethyl (1H-indol-3-yl)(phenyl)acetate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl (1H-indol-3-yl)(phenyl)acetate--hydrogen chloride (1/1) has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(Diethylamino)ethyl (1H-indol-3-yl)(phenyl)acetate--hydrogen chloride (1/1) is 51050-51-2.
The molecular formula of 2-(Diethylamino)ethyl (1H-indol-3-yl)(phenyl)acetate--hydrogen chloride (1/1) is C22H27ClN2O2.
The molecular weight of 2-(Diethylamino)ethyl (1H-indol-3-yl)(phenyl)acetate--hydrogen chloride (1/1) is 386.17612 g/mol.
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