2-chloro-8-methyl-3-(1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline
TL;DR: 2-chloro-8-methyl-3-(1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline (CAS 796877-70-8) is a chemical compound with molecular formula C18H16ClN3O2S2 and molecular weight 405.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-8-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline
Also Known As: 2-chloro-8-methyl-3-(1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline, 2-chloro-8-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline, 2-Chloro-3-(2-methanesulfonyl-5-thiophen-2-yl-3,4-dihydro-2H-pyrazol-3-yl)-8-methyl-quinoline, 2-chloro-8-methyl-3-[1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline
| Molecular Formula | C18H16ClN3O2S2 |
|---|---|
| Molecular Weight | 405.04 g/mol |
| LogP | 4.36882 |
| Topological Polar Surface Area | 62.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.03726 |
| Heavy Atoms | 26 |
| Complexity | 1124.7987 |
Chemical Identifiers
| CAS Number | 796877-70-8 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C=C(C(=N2)Cl)C3CC(=NN3S(=O)(=O)C)C4=CC=CS4 |
Product Overview
2-chloro-8-methyl-3-(1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline (CAS 796877-70-8), with molecular formula C18H16ClN3O2S2 and molecular weight 405.04 g/mol. IUPAC: 2-chloro-8-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline.
Chemical Property Profile of 2-chloro-8-methyl-3-(1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline
Property Insights of 2-chloro-8-methyl-3-(1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline
The XLogP value of 4.36882 indicates that 2-chloro-8-methyl-3-(1-(methylsulfonyl)-3-(thiophen-2-yl)-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-8-methyl-3-(1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline. Following Lipinski's Rule of Five, 2-chloro-8-methyl-3-(1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline has 0 hydrogen bond donor(s) and 5 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-8-methyl-3-(1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline?
The CAS number of 2-chloro-8-methyl-3-(1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline is 796877-70-8.
What is the molecular formula of 2-chloro-8-methyl-3-(1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline?
The molecular formula of 2-chloro-8-methyl-3-(1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline is C18H16ClN3O2S2.
What is the molecular weight of 2-chloro-8-methyl-3-(1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline?
The molecular weight of 2-chloro-8-methyl-3-(1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline is 405.04 g/mol.
Where can I buy 2-chloro-8-methyl-3-(1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline?
You can request a quote for 2-chloro-8-methyl-3-(1-(methylsulfonyl)-3-(thiophen-2-yl)-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-8-methyl-3-(1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-8-methyl-3-(1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.