(E)-1-(3,4-dimethoxyphenethyl)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-1-(3,4-dimethoxyphenethyl)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 577959-40-1) is a chemical compound with molecular formula C26H27N5O6 and molecular weight 505.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: (E)-1-(3,4-dimethoxyphenethyl)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione, 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C26H27N5O6 |
|---|---|
| Molecular Weight | 505.20 g/mol |
| LogP | 2.05052 |
| Topological Polar Surface Area | 132.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 505.19614 |
| Heavy Atoms | 37 |
| Complexity | 1643.146 |
Chemical Identifiers
| CAS Number | 577959-40-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(N(C(=O)NC3=O)CCC4=CC(=C(C=C4)OC)OC)O |
Product Overview
(E)-1-(3,4-dimethoxyphenethyl)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 577959-40-1), with molecular formula C26H27N5O6 and molecular weight 505.20 g/mol. IUPAC: 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of (E)-1-(3,4-dimethoxyphenethyl)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-1-(3,4-dimethoxyphenethyl)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 2.05052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(3,4-dimethoxyphenethyl)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 132.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(3,4-dimethoxyphenethyl)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-1-(3,4-dimethoxyphenethyl)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-1-(3,4-dimethoxyphenethyl)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-1-(3,4-dimethoxyphenethyl)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 577959-40-1.
What is the molecular formula of (E)-1-(3,4-dimethoxyphenethyl)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-1-(3,4-dimethoxyphenethyl)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is C26H27N5O6.
What is the molecular weight of (E)-1-(3,4-dimethoxyphenethyl)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-1-(3,4-dimethoxyphenethyl)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 505.20 g/mol.
Where can I buy (E)-1-(3,4-dimethoxyphenethyl)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-1-(3,4-dimethoxyphenethyl)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)pyrimidine-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 (E)-1-(3,4-dimethoxyphenethyl)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(3,4-dimethoxyphenethyl)-5-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.