TL;DR: (2S)-2-[(2,4-dichlorophenyl)formamido]-3-methylbutanoic acid (CAS 141627-49-8) is a chemical compound with molecular formula C12H13Cl2NO3 and molecular weight 289.02725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methylbutanoic acid
Also Known As: (2S)-2-[(2,4-dichlorophenyl)formamido]-3-methylbutanoic acid, (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methylbutanoic acid, 2-[(2,4-dichlorobenzoyl)amino]-3-methyl-butanoic Acid, (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methyl-butanoic acid
| Molecular Formula | C12H13Cl2NO3 |
| Molecular Weight | 289.02725 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.02725 Da |
| Heavy Atoms | 18 |
| Complexity | 322.0 |
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)C1=C(C=C(C=C1)Cl)Cl |
| InChIKey | RSRQSHMLUDVDMC-JTQLQIEISA-N |
The XLogP value of 3.4 indicates that (2S)-2-[(2,4-dichlorophenyl)formamido]-3-methylbutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-[(2,4-dichlorophenyl)formamido]-3-methylbutanoic acid. Following Lipinski's Rule of Five, (2S)-2-[(2,4-dichlorophenyl)formamido]-3-methylbutanoic acid 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 (2S)-2-[(2,4-dichlorophenyl)formamido]-3-methylbutanoic acid is 141627-49-8.
The molecular formula of (2S)-2-[(2,4-dichlorophenyl)formamido]-3-methylbutanoic acid is C12H13Cl2NO3.
The molecular weight of (2S)-2-[(2,4-dichlorophenyl)formamido]-3-methylbutanoic acid is 289.02725 g/mol.
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