TL;DR: (E)-3-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one (CAS 1005632-01-8) is a chemical compound with molecular formula C18H14F2N2O3 and molecular weight 344.09726 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
Also Known As: (E)-3-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one, 3-[5-[(2,4-difluorophenoxy)methyl]-2-furyl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one, (2E)-3-{5-[(2,4-difluorophenoxy)methyl]furan-2-yl}-1-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one, (E)-3-{5-[(2,4-DIFLUOROPHENOXY)METHYL]-2-FURYL}-1-(1-METHYL-1H-PYRAZOL-4-YL)-2-PROPEN-1-ONE
| Molecular Formula | C18H14F2N2O3 |
| Molecular Weight | 344.09726 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 57.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.09726 Da |
| Heavy Atoms | 25 |
| Complexity | 491.0 |
| SMILES | CN1C=C(C=N1)C(=O)/C=C/C2=CC=C(O2)COC3=C(C=C(C=C3)F)F |
| InChIKey | UUDBNSGIIFUHQB-AATRIKPKSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one. With a topological polar surface area (TPSA) of 57.3 Ų, (E)-3-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one has 0 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 (E)-3-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one is 1005632-01-8.
The molecular formula of (E)-3-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one is C18H14F2N2O3.
The molecular weight of (E)-3-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-1-(1-methylpyrazol-4-yl)prop-2-en-1-one is 344.09726 g/mol.
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