3-(5-Chloro-1,3-diphenylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
TL;DR: 3-(5-Chloro-1,3-diphenylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile (CAS 956189-95-0) is a chemical compound with molecular formula C26H20ClN3O2 and molecular weight 441.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-chloro-1,3-diphenylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
Also Known As: (Z)-3-(5-chloro-1,3-diphenyl-1H-pyrazol-4-yl)-2-(3,4-dimethoxyphenyl)-2-propenenitrile, 3-(5-chloro-1,3-diphenyl-pyrazol-4-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile, 3-(5-chloro-1,3-diphenylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
| Molecular Formula | C26H20ClN3O2 |
|---|---|
| Molecular Weight | 441.12 g/mol |
| LogP | 6.27408 |
| Topological Polar Surface Area | 60.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.1244 |
| Heavy Atoms | 32 |
| Complexity | 1306.4089 |
Chemical Identifiers
| CAS Number | 956189-95-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=CC2=C(N(N=C2C3=CC=CC=C3)C4=CC=CC=C4)Cl)C#N)OC |
Product Overview
3-(5-Chloro-1,3-diphenylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile (CAS 956189-95-0), with molecular formula C26H20ClN3O2 and molecular weight 441.12 g/mol. IUPAC: 3-(5-chloro-1,3-diphenylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile.
Chemical Property Profile of 3-(5-Chloro-1,3-diphenylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
Property Insights of 3-(5-Chloro-1,3-diphenylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
The XLogP value of 6.27408 indicates that 3-(5-Chloro-1,3-diphenylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Chloro-1,3-diphenylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-(5-Chloro-1,3-diphenylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(5-Chloro-1,3-diphenylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile?
The CAS number of 3-(5-Chloro-1,3-diphenylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile is 956189-95-0.
What is the molecular formula of 3-(5-Chloro-1,3-diphenylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile?
The molecular formula of 3-(5-Chloro-1,3-diphenylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile is C26H20ClN3O2.
What is the molecular weight of 3-(5-Chloro-1,3-diphenylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile?
The molecular weight of 3-(5-Chloro-1,3-diphenylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile is 441.12 g/mol.
Where can I buy 3-(5-Chloro-1,3-diphenylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile?
You can request a quote for 3-(5-Chloro-1,3-diphenylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)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 3-(5-Chloro-1,3-diphenylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Chloro-1,3-diphenylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.