1-(4-Chlorophenyl)sulfonyl-3,4,5-trimethylpyrazole
TL;DR: 1-(4-Chlorophenyl)sulfonyl-3,4,5-trimethylpyrazole (CAS 890607-08-6) is a chemical compound with molecular formula C12H13ClN2O2S and molecular weight 284.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)sulfonyl-3,4,5-trimethylpyrazole
Also Known As: 1-(4-chlorophenyl)sulfonyl-3,4,5-trimethylpyrazole, BAS 10303966, 4-chloro-1-[(3,4,5-trimethylpyrazolyl)sulfonyl]benzene, AP-124/43237915, 1-(4-Chloro-benzenesulfonyl)-3,4,5-trimethyl-1H-pyrazole
| Molecular Formula | C12H13ClN2O2S |
|---|---|
| Molecular Weight | 284.04 g/mol |
| LogP | 2.69876 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.03864 |
| Heavy Atoms | 18 |
| Complexity | 687.6127 |
Chemical Identifiers
| CAS Number | 890607-08-6 |
|---|---|
| SMILES | CC1=C(N(N=C1C)S(=O)(=O)C2=CC=C(C=C2)Cl)C |
Product Overview
1-(4-Chlorophenyl)sulfonyl-3,4,5-trimethylpyrazole (CAS 890607-08-6), with molecular formula C12H13ClN2O2S and molecular weight 284.04 g/mol. IUPAC: 1-(4-chlorophenyl)sulfonyl-3,4,5-trimethylpyrazole.
Chemical Property Profile of 1-(4-Chlorophenyl)sulfonyl-3,4,5-trimethylpyrazole
Property Insights of 1-(4-Chlorophenyl)sulfonyl-3,4,5-trimethylpyrazole
The XLogP value of 2.69876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenyl)sulfonyl-3,4,5-trimethylpyrazole. With a topological polar surface area (TPSA) of 51.96 Ų, 1-(4-Chlorophenyl)sulfonyl-3,4,5-trimethylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)sulfonyl-3,4,5-trimethylpyrazole 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-3,4,5-trimethylpyrazole?
The CAS number of 1-(4-Chlorophenyl)sulfonyl-3,4,5-trimethylpyrazole is 890607-08-6.
What is the molecular formula of 1-(4-Chlorophenyl)sulfonyl-3,4,5-trimethylpyrazole?
The molecular formula of 1-(4-Chlorophenyl)sulfonyl-3,4,5-trimethylpyrazole is C12H13ClN2O2S.
What is the molecular weight of 1-(4-Chlorophenyl)sulfonyl-3,4,5-trimethylpyrazole?
The molecular weight of 1-(4-Chlorophenyl)sulfonyl-3,4,5-trimethylpyrazole is 284.04 g/mol.
Where can I buy 1-(4-Chlorophenyl)sulfonyl-3,4,5-trimethylpyrazole?
You can request a quote for 1-(4-Chlorophenyl)sulfonyl-3,4,5-trimethylpyrazole 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-3,4,5-trimethylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)sulfonyl-3,4,5-trimethylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.