TL;DR: F0631-0225 (CAS 851810-49-6) is a chemical compound with molecular formula C22H22FN5OS and molecular weight 423.15292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(3-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: F0631-0225, 5-((3-fluorophenyl)(4-phenylpiperazin-1-yl)methyl)-2-methylthiazolo[3,2-b][1,2,4]triazol-6-ol, 5-[(3-fluorophenyl)(4-phenylpiperazin-1-yl)methyl]-2-methyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol, 5-[(3-fluorophenyl)-(4-phenylpiperazin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
| Molecular Formula | C22H22FN5OS |
| Molecular Weight | 423.15292 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 85.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.15292 Da |
| Heavy Atoms | 30 |
| Complexity | 574.0 |
| SMILES | CC1=NN2C(=C(SC2=N1)C(C3=CC(=CC=C3)F)N4CCN(CC4)C5=CC=CC=C5)O |
| InChIKey | OBFKQJVSRDZUHO-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that F0631-0225 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for F0631-0225. Following Lipinski's Rule of Five, F0631-0225 has 1 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 F0631-0225 is 851810-49-6.
The molecular formula of F0631-0225 is C22H22FN5OS.
The molecular weight of F0631-0225 is 423.15292 g/mol.
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