TL;DR: (2Z)-2-(3,4-dimethoxyphenyl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enenitrile (CAS 853749-80-1) is a chemical compound with molecular formula C21H16FNO3 and molecular weight 349.11142 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-2-(3,4-dimethoxyphenyl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enenitrile
Also Known As: VU0609729-1, (2Z)-2-(3,4-dimethoxyphenyl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enenitrile, (Z)-2-(3,4-dimethoxyphenyl)-3-(5-(2-fluorophenyl)furan-2-yl)acrylonitrile, F3308-1519, (Z)-2-(3,4-dimethoxyphenyl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enenitrile
| Molecular Formula | C21H16FNO3 |
| Molecular Weight | 349.11142 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.11142 Da |
| Heavy Atoms | 26 |
| Complexity | 543.0 |
| SMILES | COC1=C(C=C(C=C1)/C(=C/C2=CC=C(O2)C3=CC=CC=C3F)/C#N)OC |
| InChIKey | VAABMMRZCRIKNP-RVDMUPIBSA-N |
The XLogP value of 4.5 indicates that (2Z)-2-(3,4-dimethoxyphenyl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, (2Z)-2-(3,4-dimethoxyphenyl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-(3,4-dimethoxyphenyl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enenitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2Z)-2-(3,4-dimethoxyphenyl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enenitrile is 853749-80-1.
The molecular formula of (2Z)-2-(3,4-dimethoxyphenyl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enenitrile is C21H16FNO3.
The molecular weight of (2Z)-2-(3,4-dimethoxyphenyl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enenitrile is 349.11142 g/mol.
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