(E)-2-((4-chlorophenyl)sulfonyl)-3-(3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile
TL;DR: (E)-2-((4-chlorophenyl)sulfonyl)-3-(3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile (CAS 378758-24-8) is a chemical compound with molecular formula C27H22ClN3O3S and molecular weight 503.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(4-chlorophenyl)sulfonyl-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]prop-2-enenitrile
Also Known As: (E)-2-((4-chlorophenyl)sulfonyl)-3-(3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile, (E)-2-(4-chlorophenyl)sulfonyl-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]prop-2-enenitrile, 2-((4-Chlorophenyl)sulfonyl)-3-(3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile
| Molecular Formula | C27H22ClN3O3S |
|---|---|
| Molecular Weight | 503.11 g/mol |
| LogP | 6.31828 |
| Topological Polar Surface Area | 84.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.10703 |
| Heavy Atoms | 35 |
| Complexity | 1500.8972 |
Chemical Identifiers
| CAS Number | 378758-24-8 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/S(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4 |
Product Overview
(E)-2-((4-chlorophenyl)sulfonyl)-3-(3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile (CAS 378758-24-8), with molecular formula C27H22ClN3O3S and molecular weight 503.11 g/mol. IUPAC: (E)-2-(4-chlorophenyl)sulfonyl-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]prop-2-enenitrile.
Chemical Property Profile of (E)-2-((4-chlorophenyl)sulfonyl)-3-(3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile
Property Insights of (E)-2-((4-chlorophenyl)sulfonyl)-3-(3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile
The XLogP value of 6.31828 indicates that (E)-2-((4-chlorophenyl)sulfonyl)-3-(3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((4-chlorophenyl)sulfonyl)-3-(3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile. Following Lipinski's Rule of Five, (E)-2-((4-chlorophenyl)sulfonyl)-3-(3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile 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 (E)-2-((4-chlorophenyl)sulfonyl)-3-(3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile?
The CAS number of (E)-2-((4-chlorophenyl)sulfonyl)-3-(3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile is 378758-24-8.
What is the molecular formula of (E)-2-((4-chlorophenyl)sulfonyl)-3-(3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile?
The molecular formula of (E)-2-((4-chlorophenyl)sulfonyl)-3-(3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile is C27H22ClN3O3S.
What is the molecular weight of (E)-2-((4-chlorophenyl)sulfonyl)-3-(3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile?
The molecular weight of (E)-2-((4-chlorophenyl)sulfonyl)-3-(3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile is 503.11 g/mol.
Where can I buy (E)-2-((4-chlorophenyl)sulfonyl)-3-(3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile?
You can request a quote for (E)-2-((4-chlorophenyl)sulfonyl)-3-(3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((4-chlorophenyl)sulfonyl)-3-(3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((4-chlorophenyl)sulfonyl)-3-(3-(4-isopropoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.