![(2E)-2-Benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile structure](/static/products/957/957035-20-0.png)
(2E)-2-Benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
TL;DR: (2E)-2-Benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile (CAS 957035-20-0) is a chemical compound with molecular formula C27H21N3O3 and molecular weight 435.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
Also Known As: (2E)-2-Benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile, (E)-2-benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile, 2-benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile, (alphaE)-alpha-[[3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-beta-oxobenzenepropanenitrile, (I+/-E)-I+/--[[3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-I(2)-oxobenzenepropanenitrile
| Molecular Formula | C27H21N3O3 |
|---|---|
| Molecular Weight | 435.16 g/mol |
| LogP | 5.34638 |
| Topological Polar Surface Area | 77.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.1583 |
| Heavy Atoms | 33 |
| Complexity | 1350.6345 |
Chemical Identifiers
| CAS Number | 957035-20-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)C3=CC=CC=C3)C4=CC=CC=C4)OC |
Product Overview
(2E)-2-Benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile (CAS 957035-20-0), with molecular formula C27H21N3O3 and molecular weight 435.16 g/mol. IUPAC: (E)-2-benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile.
Chemical Property Profile of (2E)-2-Benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Property Insights of (2E)-2-Benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
The XLogP value of 5.34638 indicates that (2E)-2-Benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.14 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-Benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-2-Benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile 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 (2E)-2-Benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile?
The CAS number of (2E)-2-Benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile is 957035-20-0.
What is the molecular formula of (2E)-2-Benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile?
The molecular formula of (2E)-2-Benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile is C27H21N3O3.
What is the molecular weight of (2E)-2-Benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile?
The molecular weight of (2E)-2-Benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile is 435.16 g/mol.
Where can I buy (2E)-2-Benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile?
You can request a quote for (2E)-2-Benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-Benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-Benzoyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.