TL;DR: Thiazolo(2,3-c)-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)- (CAS 140424-04-0) is a chemical compound with molecular formula C18H13N3O3S and molecular weight 351.06775 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-methoxyphenyl)-[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-methoxyphenyl)-, 3-(1,3-Benzodioxol-5-yl)-5-(4-methoxyphenyl)thiazolo(2,3-c)-1,2,4-triazole, Thiophene,3-[4-(methylthio)phenyl]-2-(4-nitrophenyl), 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-[1,3]thiazolo[2, 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
| Molecular Formula | C18H13N3O3S |
| Molecular Weight | 351.06775 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.06775 Da |
| Heavy Atoms | 25 |
| Complexity | 476.0 |
| SMILES | COC1=CC=C(C=C1)C2=CSC3=NN=C(N23)C4=CC5=C(C=C4)OCO5 |
| InChIKey | ROXIQNCJQJRGQE-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that Thiazolo(2,3-c)-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 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-methoxyphenyl)-. Following Lipinski's Rule of Five, Thiazolo(2,3-c)-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Thiazolo(2,3-c)-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)- is 140424-04-0.
The molecular formula of Thiazolo(2,3-c)-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)- is C18H13N3O3S.
The molecular weight of Thiazolo(2,3-c)-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)- is 351.06775 g/mol.
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