TL;DR: 3-cinnamylbenzofuro[3,2-d]pyrimidin-4(3H)-one (CAS 1321880-37-8) is a chemical compound with molecular formula C19H14N2O2 and molecular weight 302.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(E)-3-phenylprop-2-enyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
Also Known As: 3-cinnamylbenzofuro[3,2-d]pyrimidin-4(3H)-one, F0699-0008, 3-[(E)-3-phenylprop-2-enyl]-[1]benzofuro[3,2-d]pyrimidin-4-one, 5-[(2E)-3-phenylprop-2-en-1-yl]-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-6-one, 3-[(E)-3-PHENYL-2-PROPENYL][1]BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE
| Molecular Formula | C19H14N2O2 |
| Molecular Weight | 302.10553 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.10553 Da |
| Heavy Atoms | 23 |
| Complexity | 496.0 |
| SMILES | C1=CC=C(C=C1)/C=C/CN2C=NC3=C(C2=O)OC4=CC=CC=C43 |
| InChIKey | XSPQLFGWFUNVMD-RMKNXTFCSA-N |
The XLogP value of 3.8 indicates that 3-cinnamylbenzofuro[3,2-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 3-cinnamylbenzofuro[3,2-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-cinnamylbenzofuro[3,2-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-cinnamylbenzofuro[3,2-d]pyrimidin-4(3H)-one is 1321880-37-8.
The molecular formula of 3-cinnamylbenzofuro[3,2-d]pyrimidin-4(3H)-one is C19H14N2O2.
The molecular weight of 3-cinnamylbenzofuro[3,2-d]pyrimidin-4(3H)-one is 302.10553 g/mol.
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