TL;DR: Glycine, N-(4-(2',4'-difluoro(1,1'-biphenyl)-4-yl)-2-methyl-1,4-dioxobutyl)-, ethyl ester, (+-)- (CAS 161692-82-6) is a chemical compound with molecular formula C21H21F2NO4 and molecular weight 389.14386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[[4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoyl]amino]acetate
Also Known As: Glycine, N-(4-(2',4'-difluoro(1,1'-biphenyl)-4-yl)-2-methyl-1,4-dioxobutyl)-, ethyl ester, (+-)-, ethyl 2-[[4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoyl]amino]acetate, 4-(2',4'-Difluoro[1,1'-biphenyl]-4-yl)-N-(2-ethoxy-2-oxoethyl)-2-methyl-4-oxobutanimidic acid, Glycine,N-(4-(2',4'-difluoro(1,1'-biphenyl)-4-yl)-2-methyl-1,4-dioxobutyl)-,ethyl ester,(+-)
| Molecular Formula | C21H21F2NO4 |
| Molecular Weight | 389.14386 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 389.14386 Da |
| Heavy Atoms | 28 |
| Complexity | 549.0 |
| SMILES | CCOC(=O)CNC(=O)C(C)CC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F |
| InChIKey | AWVWOVBFZWLNJL-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that Glycine, N-(4-(2',4'-difluoro(1,1'-biphenyl)-4-yl)-2-methyl-1,4-dioxobutyl)-, ethyl ester, (+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Glycine, N-(4-(2',4'-difluoro(1,1'-biphenyl)-4-yl)-2-methyl-1,4-dioxobutyl)-, ethyl ester, (+-)-. Following Lipinski's Rule of Five, Glycine, N-(4-(2',4'-difluoro(1,1'-biphenyl)-4-yl)-2-methyl-1,4-dioxobutyl)-, ethyl ester, (+-)- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Glycine, N-(4-(2',4'-difluoro(1,1'-biphenyl)-4-yl)-2-methyl-1,4-dioxobutyl)-, ethyl ester, (+-)- is 161692-82-6.
The molecular formula of Glycine, N-(4-(2',4'-difluoro(1,1'-biphenyl)-4-yl)-2-methyl-1,4-dioxobutyl)-, ethyl ester, (+-)- is C21H21F2NO4.
The molecular weight of Glycine, N-(4-(2',4'-difluoro(1,1'-biphenyl)-4-yl)-2-methyl-1,4-dioxobutyl)-, ethyl ester, (+-)- is 389.14386 g/mol.
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