TL;DR: 3-(6-Quinoxalinyl)alanine (CAS 136485-38-6) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.08513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-3-quinoxalin-6-ylpropanoic acid
Also Known As: 3-(6-Quinoxalinyl)alanine, (2S)-2-amino-3-quinoxalin-6-yl-propanoic Acid
| Molecular Formula | C11H11N3O2 |
| Molecular Weight | 217.08513 g/mol |
| XLogP | -2.1 |
| Topological Polar Surface Area (TPSA) | 89.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.08513 Da |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
| SMILES | C1=CC2=NC=CN=C2C=C1C[C@@H](C(=O)O)N |
| InChIKey | MTWPFMHLIHLYRI-QMMMGPOBSA-N |
The XLogP value of -2.1 indicates that 3-(6-Quinoxalinyl)alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(6-Quinoxalinyl)alanine. Following Lipinski's Rule of Five, 3-(6-Quinoxalinyl)alanine 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 3-(6-Quinoxalinyl)alanine is 136485-38-6.
The molecular formula of 3-(6-Quinoxalinyl)alanine is C11H11N3O2.
The molecular weight of 3-(6-Quinoxalinyl)alanine is 217.08513 g/mol.
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