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1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
TL;DR: 1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole (CAS 13658-79-2) is a chemical compound with molecular formula C11H11ClN2O2S and molecular weight 270.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)sulfonyl-3,5-dimethylpyrazole
Also Known As: 1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole, 1-(4-chlorophenyl)sulfonyl-3,5-dimethylpyrazole, BAS 00655726, 1-(4-Chloro-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole, 1-[(3,5-dimethylpyrazolyl)sulfonyl]-4-chlorobenzene
| Molecular Formula | C11H11ClN2O2S |
|---|---|
| Molecular Weight | 270.02 g/mol |
| LogP | 2.39034 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.02298 |
| Heavy Atoms | 17 |
| Complexity | 644.611 |
Chemical Identifiers
| CAS Number | 13658-79-2 |
|---|---|
| SMILES | CC1=CC(=NN1S(=O)(=O)C2=CC=C(C=C2)Cl)C |
Product Overview
1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole (CAS 13658-79-2), with molecular formula C11H11ClN2O2S and molecular weight 270.02 g/mol. IUPAC: 1-(4-chlorophenyl)sulfonyl-3,5-dimethylpyrazole.
Chemical Property Profile of 1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
Property Insights of 1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
The XLogP value of 2.39034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole. With a topological polar surface area (TPSA) of 51.96 Ų, 1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-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 1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole?
The CAS number of 1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole is 13658-79-2.
What is the molecular formula of 1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole?
The molecular formula of 1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole is C11H11ClN2O2S.
What is the molecular weight of 1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole?
The molecular weight of 1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole is 270.02 g/mol.
Where can I buy 1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole?
You can request a quote for 1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.