TL;DR: (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 1164499-14-2) is a chemical compound with molecular formula C22H22N2O6 and molecular weight 410.1478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione, 5-((E)-3-Benzo[1,3]dioxol-5-yl-acryloyl)-3-(2-cyclohex-1-enyl-ethyl)-6-hydroxy-1H-pyrimidine-2,4-dione, 5-[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-3-[2-(cyclohex-1-en-1-yl)ethyl]-2,6-dihydroxypyrimidin-4(3H)-one, 5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione
| Molecular Formula | C22H22N2O6 |
| Molecular Weight | 410.1478 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.1478 Da |
| Heavy Atoms | 30 |
| Complexity | 814.0 |
| SMILES | C1CCC(=CC1)CCN2C(=C(C(=O)NC2=O)C(=O)/C=C/C3=CC4=C(C=C3)OCO4)O |
| InChIKey | BNKVJNNQNXOVCA-SOFGYWHQSA-N |
The XLogP value of 3.5 indicates that (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione has 2 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)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 1164499-14-2.
The molecular formula of (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is C22H22N2O6.
The molecular weight of (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-3-(2-(cyclohex-1-en-1-yl)ethyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 410.1478 g/mol.
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