TL;DR: Homocysteinylpropachlor (CAS 142353-11-5) is a chemical compound with molecular formula C17H24N2O4S and molecular weight 352.1457 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-acetamido-4-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanylbutanoic acid
Also Known As: Homocysteinylpropachlor, Homo-cys-ipa, 2-S-Homocysteinyl-N-isopropylacetanilide, (2S)-2-acetamido-4-[2-oxo-2-(N-propan-2-ylanilino)ethyl]sulfanylbutanoic acid, N-acetyl-S-(2-(isopropyl(phenyl)amino)-2-oxoethyl)-L-homocysteine
| Molecular Formula | C17H24N2O4S |
| Molecular Weight | 352.1457 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 352.1457 Da |
| Heavy Atoms | 24 |
| Complexity | 436.0 |
| SMILES | CC(C)N(C1=CC=CC=C1)C(=O)CSCC[C@@H](C(=O)O)NC(=O)C |
| InChIKey | YSDQKENKWNYMPI-HNNXBMFYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Homocysteinylpropachlor. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Homocysteinylpropachlor. Following Lipinski's Rule of Five, Homocysteinylpropachlor has 2 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 Homocysteinylpropachlor is 142353-11-5.
The molecular formula of Homocysteinylpropachlor is C17H24N2O4S.
The molecular weight of Homocysteinylpropachlor is 352.1457 g/mol.
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