4-(2-Chloroethyl)-3,5-dimethyl-1-(P-toluenesulfonyl)-pyrazole
TL;DR: 4-(2-Chloroethyl)-3,5-dimethyl-1-(P-toluenesulfonyl)-pyrazole (CAS 83467-45-2) is a chemical compound with molecular formula C14H17ClN2O2S and molecular weight 312.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloroethyl)-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole
Also Known As: 4-(2-CHLOROETHYL)-3,5-DIMETHYL-1-(P-TOLUENESULFONYL)-PYRAZOLE, 4-(2-chloroethyl)-3,5-dimethyl-1-(4-methylbenzenesulfonyl)pyrazole, 4-(2-chloroethyl)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-pyrazole, 4-(2-chloroethyl)-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole
| Molecular Formula | C14H17ClN2O2S |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 2.82666 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.06992 |
| Heavy Atoms | 20 |
| Complexity | 718.3773 |
Chemical Identifiers
| CAS Number | 83467-45-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C)CCCl)C |
Product Overview
4-(2-Chloroethyl)-3,5-dimethyl-1-(P-toluenesulfonyl)-pyrazole (CAS 83467-45-2), with molecular formula C14H17ClN2O2S and molecular weight 312.07 g/mol. IUPAC: 4-(2-chloroethyl)-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole.
Chemical Property Profile of 4-(2-Chloroethyl)-3,5-dimethyl-1-(P-toluenesulfonyl)-pyrazole
Property Insights of 4-(2-Chloroethyl)-3,5-dimethyl-1-(P-toluenesulfonyl)-pyrazole
The XLogP value of 2.82666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Chloroethyl)-3,5-dimethyl-1-(P-toluenesulfonyl)-pyrazole. With a topological polar surface area (TPSA) of 51.96 Ų, 4-(2-Chloroethyl)-3,5-dimethyl-1-(P-toluenesulfonyl)-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Chloroethyl)-3,5-dimethyl-1-(P-toluenesulfonyl)-pyrazole has 0 hydrogen bond donor(s) and 3 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 4-(2-Chloroethyl)-3,5-dimethyl-1-(P-toluenesulfonyl)-pyrazole?
The CAS number of 4-(2-Chloroethyl)-3,5-dimethyl-1-(P-toluenesulfonyl)-pyrazole is 83467-45-2.
What is the molecular formula of 4-(2-Chloroethyl)-3,5-dimethyl-1-(P-toluenesulfonyl)-pyrazole?
The molecular formula of 4-(2-Chloroethyl)-3,5-dimethyl-1-(P-toluenesulfonyl)-pyrazole is C14H17ClN2O2S.
What is the molecular weight of 4-(2-Chloroethyl)-3,5-dimethyl-1-(P-toluenesulfonyl)-pyrazole?
The molecular weight of 4-(2-Chloroethyl)-3,5-dimethyl-1-(P-toluenesulfonyl)-pyrazole is 312.07 g/mol.
Where can I buy 4-(2-Chloroethyl)-3,5-dimethyl-1-(P-toluenesulfonyl)-pyrazole?
You can request a quote for 4-(2-Chloroethyl)-3,5-dimethyl-1-(P-toluenesulfonyl)-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Chloroethyl)-3,5-dimethyl-1-(P-toluenesulfonyl)-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Chloroethyl)-3,5-dimethyl-1-(P-toluenesulfonyl)-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.