![(E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile structure](/static/products/956/956202-76-9.png)
(E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
TL;DR: (E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile (CAS 956202-76-9) is a chemical compound with molecular formula C26H21N3O4S and molecular weight 471.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
Also Known As: (E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile, (2E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile, (E)-3-(3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)-2-(phenylsulfonyl)acrylonitrile, (E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenenitrile, (E)-2-besyl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile
| Molecular Formula | C26H21N3O4S |
|---|---|
| Molecular Weight | 471.13 g/mol |
| LogP | 4.89488 |
| Topological Polar Surface Area | 94.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.12527 |
| Heavy Atoms | 34 |
| Complexity | 1486.3003 |
Chemical Identifiers
| CAS Number | 956202-76-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)OC |
Product Overview
(E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile (CAS 956202-76-9), with molecular formula C26H21N3O4S and molecular weight 471.13 g/mol. IUPAC: (E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile.
Chemical Property Profile of (E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
Property Insights of (E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
The XLogP value of 4.89488 indicates that (E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.21 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile. Following Lipinski's Rule of Five, (E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile 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 (E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile?
The CAS number of (E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile is 956202-76-9.
What is the molecular formula of (E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile?
The molecular formula of (E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile is C26H21N3O4S.
What is the molecular weight of (E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile?
The molecular weight of (E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile is 471.13 g/mol.
Where can I buy (E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile?
You can request a quote for (E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-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 (E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(benzenesulfonyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.