TL;DR: Ethyl 2-[3-acetyl-1-(4-chlorophenyl)-2-methylindol-5-yl]oxyacetate (CAS 157064-66-9) is a chemical compound with molecular formula C21H20ClNO4 and molecular weight 385.1081 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[3-acetyl-1-(4-chlorophenyl)-2-methylindol-5-yl]oxyacetate
Also Known As: ethyl 2-[3-acetyl-1-(4-chlorophenyl)-2-methylindol-5-yl]oxyacetate, AE-848/13198191, ethyl {[3-acetyl-1-(4-chlorophenyl)-2-methyl-1H-indol-5-yl]oxy}acetate, ethyl 2-((3-acetyl-1-(4-chlorophenyl)-2-methyl-1H-indol-5-yl)oxy)acetate, ETHYL 2-{[3-ACETYL-1-(4-CHLOROPHENYL)-2-METHYL-1H-INDOL-5-YL]OXY}ACETATE
| Molecular Formula | C21H20ClNO4 |
| Molecular Weight | 385.1081 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 385.1081 Da |
| Heavy Atoms | 27 |
| Complexity | 534.0 |
| SMILES | CCOC(=O)COC1=CC2=C(C=C1)N(C(=C2C(=O)C)C)C3=CC=C(C=C3)Cl |
| InChIKey | CIZVRWOZIDFZTA-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that Ethyl 2-[3-acetyl-1-(4-chlorophenyl)-2-methylindol-5-yl]oxyacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Ethyl 2-[3-acetyl-1-(4-chlorophenyl)-2-methylindol-5-yl]oxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[3-acetyl-1-(4-chlorophenyl)-2-methylindol-5-yl]oxyacetate has 0 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 Ethyl 2-[3-acetyl-1-(4-chlorophenyl)-2-methylindol-5-yl]oxyacetate is 157064-66-9.
The molecular formula of Ethyl 2-[3-acetyl-1-(4-chlorophenyl)-2-methylindol-5-yl]oxyacetate is C21H20ClNO4.
The molecular weight of Ethyl 2-[3-acetyl-1-(4-chlorophenyl)-2-methylindol-5-yl]oxyacetate is 385.1081 g/mol.
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