![(4E)-4-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one structure](/static/products/663/663182-54-5.png)
(4E)-4-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
TL;DR: (4E)-4-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one (CAS 663182-54-5) is a chemical compound with molecular formula C22H16ClFN4O3 and molecular weight 438.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
Also Known As: (4E)-4-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one, (4E)-4-{3-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-4-methoxybenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, (E)-4-(3-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-4-methoxybenzylidene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
| Molecular Formula | C22H16ClFN4O3 |
|---|---|
| Molecular Weight | 438.09 g/mol |
| LogP | 4.8761 |
| Topological Polar Surface Area | 76.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.0895 |
| Heavy Atoms | 31 |
| Complexity | 1214.6328 |
Chemical Identifiers
| CAS Number | 663182-54-5 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OC)OC3=NC(=NC=C3F)Cl)C4=CC=CC=C4 |
Product Overview
(4E)-4-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one (CAS 663182-54-5), with molecular formula C22H16ClFN4O3 and molecular weight 438.09 g/mol. IUPAC: (4E)-4-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one.
Chemical Property Profile of (4E)-4-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
Property Insights of (4E)-4-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one
The XLogP value of 4.8761 indicates that (4E)-4-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.91 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one. Following Lipinski's Rule of Five, (4E)-4-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one has 0 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 (4E)-4-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one?
The CAS number of (4E)-4-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one is 663182-54-5.
What is the molecular formula of (4E)-4-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one?
The molecular formula of (4E)-4-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one is C22H16ClFN4O3.
What is the molecular weight of (4E)-4-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one?
The molecular weight of (4E)-4-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one is 438.09 g/mol.
Where can I buy (4E)-4-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one?
You can request a quote for (4E)-4-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-4-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylidene]-5-methyl-2-phenylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.