TL;DR: Bionet1_000844 (CAS 1164492-92-5) is a chemical compound with molecular formula C22H18N4S and molecular weight 370.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(2-phenylethenyl)-2-(3-phenylprop-2-enylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: Bionet1_000844, 2-[(3-phenyl-2-propenyl)sulfanyl]-7-styryl[1,2,4]triazolo[1,5-a]pyrimidine, 7-(2-phenylethenyl)-2-(3-phenylprop-2-enylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C22H18N4S |
| Molecular Weight | 370.1252 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 68.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.1252 Da |
| Heavy Atoms | 27 |
| Complexity | 497.0 |
| SMILES | C1=CC=C(C=C1)C=CCSC2=NN3C(=CC=NC3=N2)C=CC4=CC=CC=C4 |
| InChIKey | KFLLCMHCSPCOIK-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that Bionet1_000844 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000844. Following Lipinski's Rule of Five, Bionet1_000844 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Bionet1_000844 is 1164492-92-5.
The molecular formula of Bionet1_000844 is C22H18N4S.
The molecular weight of Bionet1_000844 is 370.1252 g/mol.
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