TL;DR: Mfb 1041 (CAS 151856-47-2) is a chemical compound with molecular formula C19H18F2N8OS and molecular weight 444.12924 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)-3-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]sulfanylbutan-2-ol
Also Known As: Mfb 1041, h-glu-ala-leu-phe-gln-pna, 2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)-3-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]sulfanylbutan-2-ol, 1H-1,2,4-Triazole-1-ethanol, alpha-(2,4-difluorophenyl)-alpha-(1-methyl-1-((6-(1H-1,2,4-triazol-1-yl)-3-pyridazinyl)thio)ethyl)-, (+)-, 1H-1,2,4-Triazole-1-ethanol,a-(2,4-difluorophenyl)-a-[1-methyl-1-[[6-(1H-1,2,4-triazol-1-yl)-3-pyridazinyl]thio]ethyl]-,(+)-
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C19H18F2N8OS |
| Molecular Weight | 444.12924 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.12924 Da |
| Heavy Atoms | 31 |
| Complexity | 607.0 |
| SMILES | CC(C)(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)SC3=NN=C(C=C3)N4C=NC=N4 |
| InChIKey | ICRBJWBMXZYUGP-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mfb 1041. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Mfb 1041. Following Lipinski's Rule of Five, Mfb 1041 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Mfb 1041 is 151856-47-2.
The molecular formula of Mfb 1041 is C19H18F2N8OS.
The molecular weight of Mfb 1041 is 444.12924 g/mol.
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