TL;DR: F0631-0162 (CAS 1005079-15-1) is a chemical compound with molecular formula C21H28N4O2S and molecular weight 400.1933 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(2,6-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: F0631-0162, 5-((2,6-dimethylmorpholino)(4-isopropylphenyl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol, 5-[(2,6-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol, 5-[(2,6-dimethylmorpholin-4-yl)[4-(propan-2-yl)phenyl]methyl]-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol
| Molecular Formula | C21H28N4O2S |
| Molecular Weight | 400.1933 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 91.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.1933 Da |
| Heavy Atoms | 28 |
| Complexity | 521.0 |
| SMILES | CC1CN(CC(O1)C)C(C2=CC=C(C=C2)C(C)C)C3=C(N4C(=NC(=N4)C)S3)O |
| InChIKey | MDPYDADVMBZYRK-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that F0631-0162 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for F0631-0162. Following Lipinski's Rule of Five, F0631-0162 has 1 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 F0631-0162 is 1005079-15-1.
The molecular formula of F0631-0162 is C21H28N4O2S.
The molecular weight of F0631-0162 is 400.1933 g/mol.
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