TL;DR: 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(4-phenyl-1-piperidinyl)- (CAS 137731-12-5) is a chemical compound with molecular formula C21H21N5 and molecular weight 343.1797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-phenylpiperidin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine
Also Known As: 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(4-phenyl-1-piperidinyl)-, 5-(4-Phenyl-1-piperidinyl)-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine, 5-(4-phenylpiperidin-1-yl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine, 8-(4-phenylpiperidin-1-yl)-2,4,5,9-tetraazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,8,10,12-hexaene, BRN 4821327
| Molecular Formula | C21H21N5 |
| Molecular Weight | 343.1797 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 46.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.1797 Da |
| Heavy Atoms | 26 |
| Complexity | 507.0 |
| SMILES | C1CN(CCC1C2=CC=CC=C2)C3=NC4=CC=CC=C4N5C=NN=C5C3 |
| InChIKey | ANTCCVQSFQGGJO-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(4-phenyl-1-piperidinyl)-. With a topological polar surface area (TPSA) of 46.3 Ų, 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(4-phenyl-1-piperidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(4-phenyl-1-piperidinyl)- has 0 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 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(4-phenyl-1-piperidinyl)- is 137731-12-5.
The molecular formula of 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(4-phenyl-1-piperidinyl)- is C21H21N5.
The molecular weight of 4H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine, 5-(4-phenyl-1-piperidinyl)- is 343.1797 g/mol.
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