TL;DR: Methionine, N-(3-indolyloxalyl)- (CAS 117197-02-1) is a chemical compound with molecular formula C15H16N2O4S and molecular weight 320.08307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-4-methylsulfanylbutanoic acid
Also Known As: Methionine, N-(3-indolyloxalyl)-, N-(Indol-3-ylglyoxylyl)methionine, N-((1H-Indol-3-yl)oxoacetyl)methionine, DL-Methionine, N-(1H-indol-3-yloxoacetyl)-, N-[(1H-Indol-3-yl)(oxo)acetyl]-L-methionine
| Molecular Formula | C15H16N2O4S |
| Molecular Weight | 320.08307 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 320.08307 Da |
| Heavy Atoms | 22 |
| Complexity | 443.0 |
| SMILES | CSCC[C@@H](C(=O)O)NC(=O)C(=O)C1=CNC2=CC=CC=C21 |
| InChIKey | QBGWRPKEBUSHPW-LBPRGKRZSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methionine, N-(3-indolyloxalyl)-. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methionine, N-(3-indolyloxalyl)-. Following Lipinski's Rule of Five, Methionine, N-(3-indolyloxalyl)- 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 Methionine, N-(3-indolyloxalyl)- is 117197-02-1.
The molecular formula of Methionine, N-(3-indolyloxalyl)- is C15H16N2O4S.
The molecular weight of Methionine, N-(3-indolyloxalyl)- is 320.08307 g/mol.
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