TL;DR: Methyl 2-[(1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate (CAS 303997-28-6) is a chemical compound with molecular formula C13H12N4O2S and molecular weight 288.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate
Also Known As: methyl 2-[(1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate, methyl 2-({1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}sulfanyl)acetate, methyl 2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate, 12E-941, methyl2-({1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}sulfanyl)acetate
| Molecular Formula | C13H12N4O2S |
| Molecular Weight | 288.06808 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 94.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.06808 Da |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
| SMILES | CC1=NN=C2N1C3=CC=CC=C3N=C2SCC(=O)OC |
| InChIKey | LKISWNXTEDFACJ-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, Methyl 2-[(1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methyl 2-[(1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate is 303997-28-6.
The molecular formula of Methyl 2-[(1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate is C13H12N4O2S.
The molecular weight of Methyl 2-[(1-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetate is 288.06808 g/mol.
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