2-chloro-7-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline
TL;DR: 2-chloro-7-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline (CAS 796880-88-1) is a chemical compound with molecular formula C18H16ClN3O2S2 and molecular weight 405.03726 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-7-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline
Also Known As: 2-chloro-7-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)-7-methyl-quinoline, 2-chloro-7-methyl-3-(1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl)quinoline, 2-chloro-7-methyl-3-[1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline
Technical Specifications
| Molecular Formula | C18H16ClN3O2S2 |
| Molecular Weight | 405.03726 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 99.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.03726 Da |
| Heavy Atoms | 26 |
| Complexity | 666.0 |
| SMILES | CC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3S(=O)(=O)C)C4=CC=CS4)Cl |
| InChIKey | WPUPFOUJIRTRDH-UHFFFAOYSA-N |
Chemical Property Profile of 2-chloro-7-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline
Property Insights of 2-chloro-7-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline
The XLogP value of 4.1 indicates that 2-chloro-7-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-7-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline. Following Lipinski's Rule of Five, 2-chloro-7-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-chloro-7-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline?
The CAS number of 2-chloro-7-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline is 796880-88-1.
What is the molecular formula of 2-chloro-7-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline?
The molecular formula of 2-chloro-7-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline is C18H16ClN3O2S2.
What is the molecular weight of 2-chloro-7-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline?
The molecular weight of 2-chloro-7-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline is 405.03726 g/mol.
Where can I buy 2-chloro-7-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline?
You can request a quote for 2-chloro-7-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-chloro-7-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline?
Yes, CoreyChem provides custom synthesis services for 2-chloro-7-methyl-3-(2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.