TL;DR: 9-(4-ethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one (CAS 803743-77-3) is a chemical compound with molecular formula C17H18N4O2 and molecular weight 310.14297 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-(4-ethoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: 9-(4-ethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, IDI1_025015, AO-022/41742741, BRD-A36815557-001-01-1, 9-(4-ethoxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
| Molecular Formula | C17H18N4O2 |
| Molecular Weight | 310.14297 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.14297 Da |
| Heavy Atoms | 23 |
| Complexity | 499.0 |
| SMILES | CCOC1=CC=C(C=C1)C2C3=C(CCCC3=O)NC4=NC=NN24 |
| InChIKey | OCZGEMWCPFMTFC-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(4-ethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(4-ethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one. Following Lipinski's Rule of Five, 9-(4-ethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one has 1 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 9-(4-ethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is 803743-77-3.
The molecular formula of 9-(4-ethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is C17H18N4O2.
The molecular weight of 9-(4-ethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one is 310.14297 g/mol.
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