TL;DR: 2-Furanacetic acid, 2,3-dihydro-5-(4-chlorophenyl)-alpha-((4-methylphenyl)amino)-3-oxo-, methyl ester (CAS 138938-21-3) is a chemical compound with molecular formula C20H18ClNO4 and molecular weight 371.09244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[5-(4-chlorophenyl)-3-oxofuran-2-yl]-2-(4-methylanilino)acetate
Also Known As: 2-Furanacetic acid, 2,3-dihydro-5-(4-chlorophenyl)-alpha-((4-methylphenyl)amino)-3-oxo-, methyl ester, 2-(p-Tolylamino)methoxycarbonylmethyl-5-p-chlorophenyl-2,3-dihydrofuranone, methyl 2-[5-(4-chlorophenyl)-3-oxofuran-2-yl]-2-(4-methylanilino)acetate, Methyl 3,6-anhydro-6-(4-chlorophenyl)-2,5-dideoxy-2-(4-methylanilino)hex-5-en-4-ulosonate, 2-(4-Methylphenylamino)-2-[[2,3-dihydro-3-oxo-5-(4-chlorophenyl)furan]-2-yl]acetic acid methyl ester
| Molecular Formula | C20H18ClNO4 |
| Molecular Weight | 371.09244 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.09244 Da |
| Heavy Atoms | 26 |
| Complexity | 548.0 |
| SMILES | CC1=CC=C(C=C1)NC(C2C(=O)C=C(O2)C3=CC=C(C=C3)Cl)C(=O)OC |
| InChIKey | RROKTZQZGQCAKS-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 2-Furanacetic acid, 2,3-dihydro-5-(4-chlorophenyl)-alpha-((4-methylphenyl)amino)-3-oxo-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Furanacetic acid, 2,3-dihydro-5-(4-chlorophenyl)-alpha-((4-methylphenyl)amino)-3-oxo-, methyl ester. Following Lipinski's Rule of Five, 2-Furanacetic acid, 2,3-dihydro-5-(4-chlorophenyl)-alpha-((4-methylphenyl)amino)-3-oxo-, methyl ester 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 2-Furanacetic acid, 2,3-dihydro-5-(4-chlorophenyl)-alpha-((4-methylphenyl)amino)-3-oxo-, methyl ester is 138938-21-3.
The molecular formula of 2-Furanacetic acid, 2,3-dihydro-5-(4-chlorophenyl)-alpha-((4-methylphenyl)amino)-3-oxo-, methyl ester is C20H18ClNO4.
The molecular weight of 2-Furanacetic acid, 2,3-dihydro-5-(4-chlorophenyl)-alpha-((4-methylphenyl)amino)-3-oxo-, methyl ester is 371.09244 g/mol.
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