TL;DR: 7-(4-Chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine (CAS 153682-17-8) is a chemical compound with molecular formula C17H13ClN4 and molecular weight 308.0829 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(4-chlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: BAS 00888858, BIM-0013065.P001, 7-(4-chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine, BRD-A09350171-001-01-8, 7-(4-CHLORO-PHENYL)-5-PHENYL-4,7-DIHYDRO-(1,2,4)TRIAZOLO(1,5-A)PYRIMIDINE
| Molecular Formula | C17H13ClN4 |
| Molecular Weight | 308.0829 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 42.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.0829 Da |
| Heavy Atoms | 22 |
| Complexity | 413.0 |
| SMILES | C1=CC=C(C=C1)C2=CC(N3C(=NC=N3)N2)C4=CC=C(C=C4)Cl |
| InChIKey | QJXUSTBBAIGSOR-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 7-(4-Chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.7 Ų, 7-(4-Chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(4-Chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-(4-Chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine is 153682-17-8.
The molecular formula of 7-(4-Chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine is C17H13ClN4.
The molecular weight of 7-(4-Chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine is 308.0829 g/mol.
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