3-(4-Chlorostyryl)-1H-Pyrazole
TL;DR: 3-(4-Chlorostyryl)-1H-Pyrazole (CAS 852691-01-1) is a chemical compound with molecular formula C11H9ClN2 and molecular weight 204.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazole
Also Known As: 3-(4-Chlorostyryl)-1H-Pyrazole, chlorostyrylpyrazole, (E)-3-(4-Chlorostyryl)-1H-pyrazole, 0736AF, 5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazole
| Molecular Formula | C11H9ClN2 |
|---|---|
| Molecular Weight | 204.05 g/mol |
| LogP | 3.2335 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.04543 |
| Heavy Atoms | 14 |
| Complexity | 415.05798 |
Chemical Identifiers
| CAS Number | 852691-01-1 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C2=CC=NN2)Cl |
Product Overview
3-(4-Chlorostyryl)-1H-Pyrazole (CAS 852691-01-1), with molecular formula C11H9ClN2 and molecular weight 204.05 g/mol. IUPAC: 5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazole.
Chemical Property Profile of 3-(4-Chlorostyryl)-1H-Pyrazole
Property Insights of 3-(4-Chlorostyryl)-1H-Pyrazole
The XLogP value of 3.2335 indicates that 3-(4-Chlorostyryl)-1H-Pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 3-(4-Chlorostyryl)-1H-Pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorostyryl)-1H-Pyrazole has 1 hydrogen bond donor(s) and 1 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 3-(4-Chlorostyryl)-1H-Pyrazole?
The CAS number of 3-(4-Chlorostyryl)-1H-Pyrazole is 852691-01-1.
What is the molecular formula of 3-(4-Chlorostyryl)-1H-Pyrazole?
The molecular formula of 3-(4-Chlorostyryl)-1H-Pyrazole is C11H9ClN2.
What is the molecular weight of 3-(4-Chlorostyryl)-1H-Pyrazole?
The molecular weight of 3-(4-Chlorostyryl)-1H-Pyrazole is 204.05 g/mol.
Where can I buy 3-(4-Chlorostyryl)-1H-Pyrazole?
You can request a quote for 3-(4-Chlorostyryl)-1H-Pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorostyryl)-1H-Pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorostyryl)-1H-Pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.