![2-({2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile structure](/static/products/2999/299910-76-2.webp)
2-({2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile
TL;DR: 2-({2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile (CAS 299910-76-2) is a chemical compound with molecular formula C27H23N3O3 and molecular weight 437.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]methyl]benzonitrile
Also Known As: 2-({2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile, 2-[[2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]methyl]benzonitrile, 2-((2-Ethoxy-4-((3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl)phenoxy)methyl)benzonitrile, 2-[[2-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenoxy]methyl]benzonitrile
| Molecular Formula | C27H23N3O3 |
|---|---|
| Molecular Weight | 437.17 g/mol |
| LogP | 5.34208 |
| Topological Polar Surface Area | 74.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.17395 |
| Heavy Atoms | 33 |
| Complexity | 1273.2692 |
Chemical Identifiers
| CAS Number | 299910-76-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)OCC4=CC=CC=C4C#N |
Product Overview
2-({2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile (CAS 299910-76-2), with molecular formula C27H23N3O3 and molecular weight 437.17 g/mol. IUPAC: 2-[[2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenoxy]methyl]benzonitrile.
Chemical Property Profile of 2-({2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile
Property Insights of 2-({2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile
The XLogP value of 5.34208 indicates that 2-({2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile. Following Lipinski's Rule of Five, 2-({2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-({2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile?
The CAS number of 2-({2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile is 299910-76-2.
What is the molecular formula of 2-({2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile?
The molecular formula of 2-({2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile is C27H23N3O3.
What is the molecular weight of 2-({2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile?
The molecular weight of 2-({2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile is 437.17 g/mol.
Where can I buy 2-({2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile?
You can request a quote for 2-({2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-({2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.