TL;DR: F1805-0147 (CAS 1005258-69-4) is a chemical compound with molecular formula C22H20FN5O2S and molecular weight 437.13217 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-[(3-fluorophenyl)-(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Also Known As: F1805-0147, 3-((3-fluorophenyl)(6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)methyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one, 11-[(3-fluorophenyl)({6-hydroxy-[1,2,4]triazolo[3,2-b][1,3]thiazol-5-yl})methyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one, 11-[(3-fluorophenyl)-(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one, 11-[(m-fluorophenyl)(8-hydroxy-6-thia-1,2,4-triazabicyclo[3.3.0]octa-2,4,7-trien-7-yl)methyl]-7,11-diazatricyclo[7.3.1.0(2),]trideca-2,4-dien-6-one
| Molecular Formula | C22H20FN5O2S |
| Molecular Weight | 437.13217 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.13217 Da |
| Heavy Atoms | 31 |
| Complexity | 796.0 |
| SMILES | C1C2CN(CC1C3=CC=CC(=O)N3C2)C(C4=CC(=CC=C4)F)C5=C(N6C(=NC=N6)S5)O |
| InChIKey | SHAUCOMGACGFDB-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1805-0147. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for F1805-0147. Following Lipinski's Rule of Five, F1805-0147 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 F1805-0147 is 1005258-69-4.
The molecular formula of F1805-0147 is C22H20FN5O2S.
The molecular weight of F1805-0147 is 437.13217 g/mol.
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