TL;DR: 1,3,4-Oxadiazole-2(3H)-thione, 5-(4-(((4-methoxyphenyl)azo)((2-methoxyphenyl)methylene)amino)phenyl)- (CAS 122352-06-1) is a chemical compound with molecular formula C23H19N5O3S and molecular weight 445.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methoxy-N-(4-methoxyphenyl)imino-N'-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzenecarboximidamide
Also Known As: 1,3,4-Oxadiazole-2(3H)-thione, 5-(4-(((4-methoxyphenyl)azo)((2-methoxyphenyl)methylene)amino)phenyl)-, 5-(4-((4-Methoxyphenylazo)((2-methoxyphenyl)methylene)amino)phenyl)-1,3,4-oxadiazole-2-thione, 2-methoxy-N-(4-methoxyphenyl)imino-N'-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzenecarboximidamide, BRN 4602920
| Molecular Formula | C23H19N5O3S |
| Molecular Weight | 445.12085 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.12085 Da |
| Heavy Atoms | 32 |
| Complexity | 727.0 |
| SMILES | COC1=CC=C(C=C1)N=NC(=NC2=CC=C(C=C2)C3=NNC(=S)O3)C4=CC=CC=C4OC |
| InChIKey | QTGPQBDXKRKZIB-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that 1,3,4-Oxadiazole-2(3H)-thione, 5-(4-(((4-methoxyphenyl)azo)((2-methoxyphenyl)methylene)amino)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Oxadiazole-2(3H)-thione, 5-(4-(((4-methoxyphenyl)azo)((2-methoxyphenyl)methylene)amino)phenyl)-. Following Lipinski's Rule of Five, 1,3,4-Oxadiazole-2(3H)-thione, 5-(4-(((4-methoxyphenyl)azo)((2-methoxyphenyl)methylene)amino)phenyl)- has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,3,4-Oxadiazole-2(3H)-thione, 5-(4-(((4-methoxyphenyl)azo)((2-methoxyphenyl)methylene)amino)phenyl)- is 122352-06-1.
The molecular formula of 1,3,4-Oxadiazole-2(3H)-thione, 5-(4-(((4-methoxyphenyl)azo)((2-methoxyphenyl)methylene)amino)phenyl)- is C23H19N5O3S.
The molecular weight of 1,3,4-Oxadiazole-2(3H)-thione, 5-(4-(((4-methoxyphenyl)azo)((2-methoxyphenyl)methylene)amino)phenyl)- is 445.12085 g/mol.
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