TL;DR: F0631-0043 (CAS 162661-16-7) is a chemical compound with molecular formula C18H23N5OS and molecular weight 357.16232 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-5-[(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: F0631-0043, 2-methyl-5-((4-methylpiperazin-1-yl)(p-tolyl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol, 2-methyl-5-[(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol, 2-methyl-5-[(4-methylphenyl)(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol
| Molecular Formula | C18H23N5OS |
| Molecular Weight | 357.16232 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 85.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.16232 Da |
| Heavy Atoms | 25 |
| Complexity | 453.0 |
| SMILES | CC1=CC=C(C=C1)C(C2=C(N3C(=NC(=N3)C)S2)O)N4CCN(CC4)C |
| InChIKey | IXCNBQPSPJNLEH-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that F0631-0043 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 F0631-0043. Following Lipinski's Rule of Five, F0631-0043 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 F0631-0043 is 162661-16-7.
The molecular formula of F0631-0043 is C18H23N5OS.
The molecular weight of F0631-0043 is 357.16232 g/mol.
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