![(E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile structure](/static/products/370/370574-47-3.png)
(E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
TL;DR: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile (CAS 370574-47-3) is a chemical compound with molecular formula C28H22N4OS and molecular weight 462.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
Also Known As: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile, (E)-2-(benzo[d]thiazol-2-yl)-3-(3-(4-ethoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl)acrylonitrile, 2-benzothiazol-2-yl-3-[3-(4-ethoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile
| Molecular Formula | C28H22N4OS |
|---|---|
| Molecular Weight | 462.15 g/mol |
| LogP | 6.9203 |
| Topological Polar Surface Area | 63.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.15143 |
| Heavy Atoms | 34 |
| Complexity | 1506.9877 |
Chemical Identifiers
| CAS Number | 370574-47-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C |
Product Overview
(E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile (CAS 370574-47-3), with molecular formula C28H22N4OS and molecular weight 462.15 g/mol. IUPAC: (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile.
Chemical Property Profile of (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
Property Insights of (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
The XLogP value of 6.9203 indicates that (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile. Following Lipinski's Rule of Five, (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-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 (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile?
The CAS number of (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile is 370574-47-3.
What is the molecular formula of (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile?
The molecular formula of (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile is C28H22N4OS.
What is the molecular weight of (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile?
The molecular weight of (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile is 462.15 g/mol.
Where can I buy (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile?
You can request a quote for (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-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-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(1,3-benzothiazol-2-yl)-3-[3-(4-ethoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.