TL;DR: N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-methionine (CAS 1173660-57-5) is a chemical compound with molecular formula C15H17ClN2O3S and molecular weight 340.06485 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-4-methylsulfanylbutanoic acid
Also Known As: N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-methionine, (2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-4-methylsulfanylbutanoic acid, (S)-2-(5-chloro-1-methyl-1H-indole-2-carboxamido)-4-(methylthio)butanoic acid, 2-[(5-chloro-1-methyl-indole-2-carbonyl)amino]-4-methylsulfanyl-butanoic Acid
| Molecular Formula | C15H17ClN2O3S |
| Molecular Weight | 340.06485 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 96.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.06485 Da |
| Heavy Atoms | 22 |
| Complexity | 424.0 |
| SMILES | CN1C2=C(C=C(C=C2)Cl)C=C1C(=O)N[C@@H](CCSC)C(=O)O |
| InChIKey | CEANFGJAESMPGI-NSHDSACASA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-methionine. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-methionine. Following Lipinski's Rule of Five, N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-methionine has 2 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 N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-methionine is 1173660-57-5.
The molecular formula of N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-methionine is C15H17ClN2O3S.
The molecular weight of N-[(5-chloro-1-methyl-1H-indol-2-yl)carbonyl]-L-methionine is 340.06485 g/mol.
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