![(5E)-2-hydroxy-5-[4-(propan-2-yl)benzylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione structure](/static/products/372/372501-91-2.png)
(5E)-2-hydroxy-5-[4-(propan-2-yl)benzylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione
TL;DR: (5E)-2-hydroxy-5-[4-(propan-2-yl)benzylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione (CAS 372501-91-2) is a chemical compound with molecular formula C21H17F3N2O3 and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(4-propan-2-ylphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
Also Known As: (5E)-2-hydroxy-5-[4-(propan-2-yl)benzylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione, (5E)-5-[(4-propan-2-ylphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione, (E)-5-(4-isopropylbenzylidene)-1-(3-(trifluoromethyl)phenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C21H17F3N2O3 |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 4.4952 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.11914 |
| Heavy Atoms | 29 |
| Complexity | 1008.57654 |
Chemical Identifiers
| CAS Number | 372501-91-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
(5E)-2-hydroxy-5-[4-(propan-2-yl)benzylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione (CAS 372501-91-2), with molecular formula C21H17F3N2O3 and molecular weight 402.12 g/mol. IUPAC: (5E)-5-[(4-propan-2-ylphenyl)methylidene]-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5E)-2-hydroxy-5-[4-(propan-2-yl)benzylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione
Property Insights of (5E)-2-hydroxy-5-[4-(propan-2-yl)benzylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione
The XLogP value of 4.4952 indicates that (5E)-2-hydroxy-5-[4-(propan-2-yl)benzylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-2-hydroxy-5-[4-(propan-2-yl)benzylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5E)-2-hydroxy-5-[4-(propan-2-yl)benzylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione has 1 hydrogen bond donor(s) and 3 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 (5E)-2-hydroxy-5-[4-(propan-2-yl)benzylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione?
The CAS number of (5E)-2-hydroxy-5-[4-(propan-2-yl)benzylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione is 372501-91-2.
What is the molecular formula of (5E)-2-hydroxy-5-[4-(propan-2-yl)benzylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione?
The molecular formula of (5E)-2-hydroxy-5-[4-(propan-2-yl)benzylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione is C21H17F3N2O3.
What is the molecular weight of (5E)-2-hydroxy-5-[4-(propan-2-yl)benzylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione?
The molecular weight of (5E)-2-hydroxy-5-[4-(propan-2-yl)benzylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione is 402.12 g/mol.
Where can I buy (5E)-2-hydroxy-5-[4-(propan-2-yl)benzylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione?
You can request a quote for (5E)-2-hydroxy-5-[4-(propan-2-yl)benzylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-2-hydroxy-5-[4-(propan-2-yl)benzylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-2-hydroxy-5-[4-(propan-2-yl)benzylidene]-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.