![(E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-6-hydroxy-3-phenethylpyrimidine-2,4(1H,3H)-dione structure](/static/products/892/892623-40-4.png)
(E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-6-hydroxy-3-phenethylpyrimidine-2,4(1H,3H)-dione
TL;DR: (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-6-hydroxy-3-phenethylpyrimidine-2,4(1H,3H)-dione (CAS 892623-40-4) is a chemical compound with molecular formula C22H18N2O6 and molecular weight 406.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
Also Known As: (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-6-hydroxy-3-phenethylpyrimidine-2,4(1H,3H)-dione, 5-((E)-3-Benzo[1,3]dioxol-5-yl-acryloyl)-6-hydroxy-3-phenethyl-1H-pyrimidine-2,4-dione, 5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-6-hydroxy-1-phenethylpyrimidine-2,4-dione, 5-[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-2,6-dihydroxy-3-(2-phenylethyl)pyrimidin-4(3H)-one
| Molecular Formula | C22H18N2O6 |
|---|---|
| Molecular Weight | 406.12 g/mol |
| LogP | 2.1097 |
| Topological Polar Surface Area | 110.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.1165 |
| Heavy Atoms | 30 |
| Complexity | 1240.718 |
Chemical Identifiers
| CAS Number | 892623-40-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=C(N(C(=O)NC3=O)CCC4=CC=CC=C4)O |
Product Overview
(E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-6-hydroxy-3-phenethylpyrimidine-2,4(1H,3H)-dione (CAS 892623-40-4), with molecular formula C22H18N2O6 and molecular weight 406.12 g/mol. IUPAC: 5-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione.
Chemical Property Profile of (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-6-hydroxy-3-phenethylpyrimidine-2,4(1H,3H)-dione
Property Insights of (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-6-hydroxy-3-phenethylpyrimidine-2,4(1H,3H)-dione
The XLogP value of 2.1097 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-6-hydroxy-3-phenethylpyrimidine-2,4(1H,3H)-dione. The TPSA of 110.62 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-6-hydroxy-3-phenethylpyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-6-hydroxy-3-phenethylpyrimidine-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.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-6-hydroxy-3-phenethylpyrimidine-2,4(1H,3H)-dione?
The CAS number of (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-6-hydroxy-3-phenethylpyrimidine-2,4(1H,3H)-dione is 892623-40-4.
What is the molecular formula of (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-6-hydroxy-3-phenethylpyrimidine-2,4(1H,3H)-dione?
The molecular formula of (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-6-hydroxy-3-phenethylpyrimidine-2,4(1H,3H)-dione is C22H18N2O6.
What is the molecular weight of (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-6-hydroxy-3-phenethylpyrimidine-2,4(1H,3H)-dione?
The molecular weight of (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-6-hydroxy-3-phenethylpyrimidine-2,4(1H,3H)-dione is 406.12 g/mol.
Where can I buy (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-6-hydroxy-3-phenethylpyrimidine-2,4(1H,3H)-dione?
You can request a quote for (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-6-hydroxy-3-phenethylpyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-6-hydroxy-3-phenethylpyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-6-hydroxy-3-phenethylpyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.