TL;DR: CL 242817 (CAS 92981-24-3) is a chemical compound with molecular formula C18H21NO5S and molecular weight 363.11404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-1-[(2R,3S)-3-acetylsulfanyl-2-methyl-4-oxo-4-phenylbutanoyl]pyrrolidine-2-carboxylic acid
Also Known As: CL 242817, KST-1B9307, 1-((3-Acetylthio)-3-benzoyl-2-methylpropionyl)-L-proline, 1-[(2r,3s)-3-(acetylsulfanyl)-2-methyl-4-oxo-4-phenylbutanoyl]-l-proline, ((2R,3S)-3-(acetylthio)-2-methyl-4-oxo-4-phenylbutanoyl)-L-proline
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H21NO5S |
| Molecular Weight | 363.11404 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 363.11404 Da |
| Heavy Atoms | 25 |
| Complexity | 544.0 |
| SMILES | C[C@@H]([C@@H](C(=O)C1=CC=CC=C1)SC(=O)C)C(=O)N2CCC[C@H]2C(=O)O |
| InChIKey | FLRNAFWKDUMBPC-PJODQICGSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CL 242817. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CL 242817. Following Lipinski's Rule of Five, CL 242817 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 CL 242817 is 92981-24-3.
The molecular formula of CL 242817 is C18H21NO5S.
The molecular weight of CL 242817 is 363.11404 g/mol.
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