TL;DR: methyl N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-methioninate (CAS 1173685-34-1) is a chemical compound with molecular formula C15H19N3O4S and molecular weight 337.10962 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-4-methylsulfanyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoate
Also Known As: methyl N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-methioninate, (S)-methyl 4-(methylthio)-2-(3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)butanoate, methyl (2S)-4-methylsulfanyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoate
| Molecular Formula | C15H19N3O4S |
| Molecular Weight | 337.10962 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.10962 Da |
| Heavy Atoms | 23 |
| Complexity | 460.0 |
| SMILES | COC(=O)[C@H](CCSC)NC(=O)N1CC(=O)NC2=CC=CC=C21 |
| InChIKey | FKLNZFUVLRIIDI-NSHDSACASA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-methioninate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-methioninate. Following Lipinski's Rule of Five, methyl N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-methioninate 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 methyl N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-methioninate is 1173685-34-1.
The molecular formula of methyl N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-methioninate is C15H19N3O4S.
The molecular weight of methyl N-[(3-hydroxyquinoxalin-1(2H)-yl)carbonyl]-L-methioninate is 337.10962 g/mol.
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