TL;DR: N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine (CAS 144505-58-8) is a chemical compound with molecular formula C16H23NO3S2 and molecular weight 341.11194 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S)-2-[(2-methylphenyl)methyl]-3-sulfanylpropanoyl]amino]-4-methylsulfanylbutanoic acid
Also Known As: NEP-IN-2, Cgs 26129, Sch 42354, N[2(S)-MERCAPTOMETHYL-3-(2-METHYLPHENYL)PROPIONYL]-(S)-METHIONINE, N-(3-Mercapto-2-((2-methylphenyl)methyl)-1-oxopropyl)methionine
| Molecular Formula | C16H23NO3S2 |
| Molecular Weight | 341.11194 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 341.11194 Da |
| Heavy Atoms | 22 |
| Complexity | 365.0 |
| SMILES | CC1=CC=CC=C1C[C@H](CS)C(=O)N[C@@H](CCSC)C(=O)O |
| InChIKey | FGXXIAHRYGHABD-KGLIPLIRSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine. Following Lipinski's Rule of Five, N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine has 3 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 N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine is 144505-58-8.
The molecular formula of N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine is C16H23NO3S2.
The molecular weight of N[2(S)-Mercaptomethyl-3-(2-methylphenyl)propionyl]-(S)-methionine is 341.11194 g/mol.
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