TL;DR: 2-(diethylamino)ethyl (2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate (CAS 371956-56-8) is a chemical compound with molecular formula C20H21N3O5 and molecular weight 383.14813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(diethylamino)ethyl (E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate
Also Known As: (E)-2-(diethylamino)ethyl 2-cyano-3-(5-(3-nitrophenyl)furan-2-yl)acrylate, 2-diethylaminoethyl 2-cyano-3-[5-(3-nitrophenyl)-2-furyl]prop-2-enoate, 2-(diethylamino)ethyl (2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate, 2-diethylaminoethyl (E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate
| Molecular Formula | C20H21N3O5 |
| Molecular Weight | 383.14813 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 383.14813 Da |
| Heavy Atoms | 28 |
| Complexity | 617.0 |
| SMILES | CCN(CC)CCOC(=O)/C(=C/C1=CC=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])/C#N |
| InChIKey | HFTLLIBJXAPMTQ-DTQAZKPQSA-N |
The XLogP value of 3.5 indicates that 2-(diethylamino)ethyl (2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(diethylamino)ethyl (2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate. Following Lipinski's Rule of Five, 2-(diethylamino)ethyl (2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate has 0 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 2-(diethylamino)ethyl (2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate is 371956-56-8.
The molecular formula of 2-(diethylamino)ethyl (2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate is C20H21N3O5.
The molecular weight of 2-(diethylamino)ethyl (2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoate is 383.14813 g/mol.
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