2-chloro-7-methyl-3-(1-(methylsulfonyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline
TL;DR: 2-chloro-7-methyl-3-(1-(methylsulfonyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline (CAS 442650-07-9) is a chemical compound with molecular formula C21H20ClN3O2S and molecular weight 413.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-7-methyl-3-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline
Also Known As: 2-chloro-7-methyl-3-(1-(methylsulfonyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline, 2-chloro-7-methyl-3-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline, 2-CHLORO-3-[1-METHANESULFONYL-3-(4-METHYLPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-YL]-7-METHYLQUINOLINE, 2-chloro-7-methyl-3-[3-(4-methylphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline
| Molecular Formula | C21H20ClN3O2S |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | 4.61574 |
| Topological Polar Surface Area | 62.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.09647 |
| Heavy Atoms | 28 |
| Complexity | 1204.2979 |
Chemical Identifiers
| CAS Number | 442650-07-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C(C2)C3=C(N=C4C=C(C=CC4=C3)C)Cl)S(=O)(=O)C |
Product Overview
2-chloro-7-methyl-3-(1-(methylsulfonyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline (CAS 442650-07-9), with molecular formula C21H20ClN3O2S and molecular weight 413.10 g/mol. IUPAC: 2-chloro-7-methyl-3-[5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoline.
Chemical Property Profile of 2-chloro-7-methyl-3-(1-(methylsulfonyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline
Property Insights of 2-chloro-7-methyl-3-(1-(methylsulfonyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline
The XLogP value of 4.61574 indicates that 2-chloro-7-methyl-3-(1-(methylsulfonyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-7-methyl-3-(1-(methylsulfonyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline. Following Lipinski's Rule of Five, 2-chloro-7-methyl-3-(1-(methylsulfonyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline has 0 hydrogen bond donor(s) and 4 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 2-chloro-7-methyl-3-(1-(methylsulfonyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline?
The CAS number of 2-chloro-7-methyl-3-(1-(methylsulfonyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline is 442650-07-9.
What is the molecular formula of 2-chloro-7-methyl-3-(1-(methylsulfonyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline?
The molecular formula of 2-chloro-7-methyl-3-(1-(methylsulfonyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline is C21H20ClN3O2S.
What is the molecular weight of 2-chloro-7-methyl-3-(1-(methylsulfonyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline?
The molecular weight of 2-chloro-7-methyl-3-(1-(methylsulfonyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline is 413.10 g/mol.
Where can I buy 2-chloro-7-methyl-3-(1-(methylsulfonyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline?
You can request a quote for 2-chloro-7-methyl-3-(1-(methylsulfonyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-7-methyl-3-(1-(methylsulfonyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-7-methyl-3-(1-(methylsulfonyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.