TL;DR: 4H-1-Benzopyran-4-one, 6-methoxy-2-(1-methyl-1H-1,2,3-triazol-4-yl)- (CAS 131924-50-0) is a chemical compound with molecular formula C13H11N3O3 and molecular weight 257.08005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methoxy-2-(1-methyltriazol-4-yl)chromen-4-one
Also Known As: 4H-1-Benzopyran-4-one, 6-methoxy-2-(1-methyl-1H-1,2,3-triazol-4-yl)-, 6-Methoxy-2-(1-methyl-1H-1,2,3-triazol-4-yl)-4H-1-benzopyran-4-one, 6-methoxy-2-(1-methyltriazol-4-yl)chromen-4-one, BRN 4198301
| Molecular Formula | C13H11N3O3 |
| Molecular Weight | 257.08005 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.08005 Da |
| Heavy Atoms | 19 |
| Complexity | 399.0 |
| SMILES | CN1C=C(N=N1)C2=CC(=O)C3=C(O2)C=CC(=C3)OC |
| InChIKey | FYCAHNFQEKCBDG-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-4-one, 6-methoxy-2-(1-methyl-1H-1,2,3-triazol-4-yl)-. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1-Benzopyran-4-one, 6-methoxy-2-(1-methyl-1H-1,2,3-triazol-4-yl)-. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 6-methoxy-2-(1-methyl-1H-1,2,3-triazol-4-yl)- has 0 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 4H-1-Benzopyran-4-one, 6-methoxy-2-(1-methyl-1H-1,2,3-triazol-4-yl)- is 131924-50-0.
The molecular formula of 4H-1-Benzopyran-4-one, 6-methoxy-2-(1-methyl-1H-1,2,3-triazol-4-yl)- is C13H11N3O3.
The molecular weight of 4H-1-Benzopyran-4-one, 6-methoxy-2-(1-methyl-1H-1,2,3-triazol-4-yl)- is 257.08005 g/mol.
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