TL;DR: 2,2':5',2''-Terthiophene,3',4'-dihexyl (CAS 151327-07-0) is a chemical compound with molecular formula C23H20ClN7 and molecular weight 429.14688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-chloro-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine
Also Known As: 2,2':5',2''-Terthiophene,3',4'-dihexyl, Pyrazolo(1,5-a)pyrimidine, 7-chloro-5-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, 7-chloro-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine, 2-chloro-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,5 ,9-triazabicyclo[4.3.0]nona-2, 7-Chloro-5-propyl-6-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}pyrazolo[1,5-a]pyrimidine
| Molecular Formula | C23H20ClN7 |
| Molecular Weight | 429.14688 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.14688 Da |
| Heavy Atoms | 31 |
| Complexity | 572.0 |
| SMILES | CCCC1=NC2=CC=NN2C(=C1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)Cl |
| InChIKey | TXKVGHLYOXKZDO-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 2,2':5',2''-Terthiophene,3',4'-dihexyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2':5',2''-Terthiophene,3',4'-dihexyl. Following Lipinski's Rule of Five, 2,2':5',2''-Terthiophene,3',4'-dihexyl has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,2':5',2''-Terthiophene,3',4'-dihexyl is 151327-07-0.
The molecular formula of 2,2':5',2''-Terthiophene,3',4'-dihexyl is C23H20ClN7.
The molecular weight of 2,2':5',2''-Terthiophene,3',4'-dihexyl is 429.14688 g/mol.
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