TL;DR: 5-(4-Chlorophenyl)-7-(2,6-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CAS 785791-81-3) is a chemical compound with molecular formula C16H10Cl3N5 and molecular weight 377.00018 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-chlorophenyl)-7-(2,6-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
Also Known As: 5-(4-chlorophenyl)-7-(2,6-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine, 5-(4-chlorophenyl)-7-(2,6-dichlorophenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine
| Molecular Formula | C16H10Cl3N5 |
| Molecular Weight | 377.00018 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.00018 Da |
| Heavy Atoms | 24 |
| Complexity | 472.0 |
| SMILES | C1=CC(=C(C(=C1)Cl)C2C=C(NC3=NN=NN23)C4=CC=C(C=C4)Cl)Cl |
| InChIKey | RJSVMQXFRCPNSZ-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 5-(4-Chlorophenyl)-7-(2,6-dichlorophenyl)-4,7-dihydrotetrazolo[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 55.6 Ų, 5-(4-Chlorophenyl)-7-(2,6-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Chlorophenyl)-7-(2,6-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-(4-Chlorophenyl)-7-(2,6-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is 785791-81-3.
The molecular formula of 5-(4-Chlorophenyl)-7-(2,6-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is C16H10Cl3N5.
The molecular weight of 5-(4-Chlorophenyl)-7-(2,6-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is 377.00018 g/mol.
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