TL;DR: Thiazolo(2,3-c)-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)- (CAS 140424-02-8) is a chemical compound with molecular formula C17H10BrN3O2S and molecular weight 398.9677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
Also Known As: Thiazolo(2,3-c)-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-, 3-(1,3-Benzodioxol-5-yl)-5-(4-bromophenyl)thiazolo(2,3-c)-1,2,4-triazole, Thiophene,3-[4-(methylthio)phenyl]-2-(4-nitrophenyl), 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-[1,3]thiazolo[2,3, 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
| Molecular Formula | C17H10BrN3O2S |
| Molecular Weight | 398.9677 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.9677 Da |
| Heavy Atoms | 24 |
| Complexity | 465.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN=C4N3C(=CS4)C5=CC=C(C=C5)Br |
| InChIKey | WKZADNCMPQZEDO-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that Thiazolo(2,3-c)-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiazolo(2,3-c)-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-. Following Lipinski's Rule of Five, Thiazolo(2,3-c)-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Thiazolo(2,3-c)-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)- is 140424-02-8.
The molecular formula of Thiazolo(2,3-c)-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)- is C17H10BrN3O2S.
The molecular weight of Thiazolo(2,3-c)-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)- is 398.9677 g/mol.
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