![2-(1,3-Benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enenitrile structure](/static/products/4752/475231-51-7.webp)
2-(1,3-Benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enenitrile
TL;DR: 2-(1,3-Benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enenitrile (CAS 475231-51-7) is a chemical compound with molecular formula C20H12Cl2N4S and molecular weight 410.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]prop-2-enenitrile
Also Known As: 2-(1,3-Benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enenitrile, 2-(1,3-benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]prop-2-enenitrile, alpha-[[5-Chloro-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]methylene]-2-benzothiazoleacetonitrile, I+/--[[5-Chloro-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]methylene]-2-benzothiazoleacetonitrile
| Molecular Formula | C20H12Cl2N4S |
|---|---|
| Molecular Weight | 410.02 g/mol |
| LogP | 6.1614 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.01596 |
| Heavy Atoms | 27 |
| Complexity | 1180.2395 |
Chemical Identifiers
| CAS Number | 475231-51-7 |
|---|---|
| SMILES | CC1=NN(C(=C1C=C(C#N)C2=NC3=CC=CC=C3S2)Cl)C4=CC=C(C=C4)Cl |
Product Overview
2-(1,3-Benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enenitrile (CAS 475231-51-7), with molecular formula C20H12Cl2N4S and molecular weight 410.02 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methylpyrazol-4-yl]prop-2-enenitrile.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enenitrile
Property Insights of 2-(1,3-Benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enenitrile
The XLogP value of 6.1614 indicates that 2-(1,3-Benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 2-(1,3-Benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]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 2-(1,3-Benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enenitrile?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enenitrile is 475231-51-7.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enenitrile?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enenitrile is C20H12Cl2N4S.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enenitrile?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enenitrile is 410.02 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enenitrile?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methyl-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 2-(1,3-Benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-3-[5-chloro-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.