![1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione structure](/static/products/892/892614-86-7.png)
1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione
TL;DR: 1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione (CAS 892614-86-7) is a chemical compound with molecular formula C21H19ClN4O4 and molecular weight 426.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione
Also Known As: 1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione, 3-(4-CHLOROPHENYL)-5-[5-(4-ETHOXYPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-3-YL]-6-HYDROXY-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE, (5Z)-1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione, (5Z)-3-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione, (Z)-1-(4-chlorophenyl)-5-(5-(4-ethoxyphenyl)pyrazolidin-3-ylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C21H19ClN4O4 |
|---|---|
| Molecular Weight | 426.11 g/mol |
| LogP | 2.7222 |
| Topological Polar Surface Area | 108.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.1095 |
| Heavy Atoms | 30 |
| Complexity | 1213.7391 |
Chemical Identifiers
| CAS Number | 892614-86-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2CC(=NN2)C3=C(N(C(=O)NC3=O)C4=CC=C(C=C4)Cl)O |
Product Overview
1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione (CAS 892614-86-7), with molecular formula C21H19ClN4O4 and molecular weight 426.11 g/mol. IUPAC: 1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of 1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione
Property Insights of 1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione
The XLogP value of 2.7222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 108.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione has 3 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 1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione?
The CAS number of 1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione is 892614-86-7.
What is the molecular formula of 1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione?
The molecular formula of 1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione is C21H19ClN4O4.
What is the molecular weight of 1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione?
The molecular weight of 1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione is 426.11 g/mol.
Where can I buy 1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione?
You can request a quote for 1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-5-[5-(4-ethoxyphenyl)pyrazolidin-3-ylidene]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.