(Z)-5-(1-acetyl-5-(4-ethoxyphenyl)pyrazolidin-3-ylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (Z)-5-(1-acetyl-5-(4-ethoxyphenyl)pyrazolidin-3-ylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 892612-59-8) is a chemical compound with molecular formula C20H22N4O5 and molecular weight 398.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-acetyl-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
Also Known As: (Z)-5-(1-acetyl-5-(4-ethoxyphenyl)pyrazolidin-3-ylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione, (5Z)-5-[1-acetyl-5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione, (5Z)-5-[1-acetyl-5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione, 5-[1-acetyl-5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C20H22N4O5 |
|---|---|
| Molecular Weight | 398.16 g/mol |
| LogP | 1.5245 |
| Topological Polar Surface Area | 116.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.15903 |
| Heavy Atoms | 29 |
| Complexity | 1081.5309 |
Chemical Identifiers
| CAS Number | 892612-59-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2CC(=NN2C(=O)C)C3=C(N(C(=O)NC3=O)CC=C)O |
Product Overview
(Z)-5-(1-acetyl-5-(4-ethoxyphenyl)pyrazolidin-3-ylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 892612-59-8), with molecular formula C20H22N4O5 and molecular weight 398.16 g/mol. IUPAC: 5-[2-acetyl-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione.
Chemical Property Profile of (Z)-5-(1-acetyl-5-(4-ethoxyphenyl)pyrazolidin-3-ylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (Z)-5-(1-acetyl-5-(4-ethoxyphenyl)pyrazolidin-3-ylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 1.5245 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-5-(1-acetyl-5-(4-ethoxyphenyl)pyrazolidin-3-ylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 116.99 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-5-(1-acetyl-5-(4-ethoxyphenyl)pyrazolidin-3-ylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (Z)-5-(1-acetyl-5-(4-ethoxyphenyl)pyrazolidin-3-ylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione 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 (Z)-5-(1-acetyl-5-(4-ethoxyphenyl)pyrazolidin-3-ylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (Z)-5-(1-acetyl-5-(4-ethoxyphenyl)pyrazolidin-3-ylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione is 892612-59-8.
What is the molecular formula of (Z)-5-(1-acetyl-5-(4-ethoxyphenyl)pyrazolidin-3-ylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (Z)-5-(1-acetyl-5-(4-ethoxyphenyl)pyrazolidin-3-ylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione is C20H22N4O5.
What is the molecular weight of (Z)-5-(1-acetyl-5-(4-ethoxyphenyl)pyrazolidin-3-ylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (Z)-5-(1-acetyl-5-(4-ethoxyphenyl)pyrazolidin-3-ylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione is 398.16 g/mol.
Where can I buy (Z)-5-(1-acetyl-5-(4-ethoxyphenyl)pyrazolidin-3-ylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (Z)-5-(1-acetyl-5-(4-ethoxyphenyl)pyrazolidin-3-ylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-5-(1-acetyl-5-(4-ethoxyphenyl)pyrazolidin-3-ylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (Z)-5-(1-acetyl-5-(4-ethoxyphenyl)pyrazolidin-3-ylidene)-1-allylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.