TL;DR: BAS 10123837 (CAS 1438398-32-3) is a chemical compound with molecular formula C16H13N5O2S and molecular weight 339.079 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[(4-methoxyphenoxy)methyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 10123837, 6-[(4-methoxyphenoxy)methyl]-3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/43113472, 4-{6-[(4-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}pyridine, 6-[(4-methoxyphenoxy)methyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C16H13N5O2S |
| Molecular Weight | 339.079 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.079 Da |
| Heavy Atoms | 24 |
| Complexity | 404.0 |
| SMILES | COC1=CC=C(C=C1)OCC2=NN3C(=NN=C3S2)C4=CC=NC=C4 |
| InChIKey | ACNCTYMZXJIROI-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 10123837. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10123837. Following Lipinski's Rule of Five, BAS 10123837 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BAS 10123837 is 1438398-32-3.
The molecular formula of BAS 10123837 is C16H13N5O2S.
The molecular weight of BAS 10123837 is 339.079 g/mol.
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