TL;DR: Benzeneacetic acid, 4-((2,4-dichlorobenzoyl)amino)-3-hydroxy-alpha-methyl- (CAS 109790-34-3) is a chemical compound with molecular formula C16H13Cl2NO4 and molecular weight 353.02216 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[(2,4-dichlorobenzoyl)amino]-3-hydroxyphenyl]propanoic acid
Also Known As: 4-((2,4-Dichlorobenzoyl)amino)-3-hydroxy-alpha-methylbenzeneacetic acid, Benzeneacetic acid, 4-((2,4-dichlorobenzoyl)amino)-3-hydroxy-alpha-methyl-, 2-[4-[(2,4-dichlorobenzoyl)amino]-3-hydroxyphenyl]propanoic acid, 2-(4-{[(2,4-Dichlorophenyl)(hydroxy)methylidene]amino}-3-hydroxyphenyl)propanoic acid, BRN 5622211
| Molecular Formula | C16H13Cl2NO4 |
| Molecular Weight | 353.02216 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.02216 Da |
| Heavy Atoms | 23 |
| Complexity | 448.0 |
| SMILES | CC(C1=CC(=C(C=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl)O)C(=O)O |
| InChIKey | GXDLOYKGCALKRZ-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that Benzeneacetic acid, 4-((2,4-dichlorobenzoyl)amino)-3-hydroxy-alpha-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 4-((2,4-dichlorobenzoyl)amino)-3-hydroxy-alpha-methyl-. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-((2,4-dichlorobenzoyl)amino)-3-hydroxy-alpha-methyl- has 3 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 Benzeneacetic acid, 4-((2,4-dichlorobenzoyl)amino)-3-hydroxy-alpha-methyl- is 109790-34-3.
The molecular formula of Benzeneacetic acid, 4-((2,4-dichlorobenzoyl)amino)-3-hydroxy-alpha-methyl- is C16H13Cl2NO4.
The molecular weight of Benzeneacetic acid, 4-((2,4-dichlorobenzoyl)amino)-3-hydroxy-alpha-methyl- is 353.02216 g/mol.
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