2-chloro-3-(3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-8-methylquinoline
TL;DR: 2-chloro-3-(3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-8-methylquinoline (CAS 442650-01-3) is a chemical compound with molecular formula C21H20ClN3O3S and molecular weight 429.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-[5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-8-methylquinoline
Also Known As: 2-chloro-3-(3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-8-methylquinoline, 2-chloro-3-[1-methanesulfonyl-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]-8-methylquinoline, F1138-0085, 2-chloro-3-[5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-8-methylquinoline, 5-chloro-3-hydroxy-3-(2-(4-methoxyphenyl)-2-oxoethyl)indolin-2-one
| Molecular Formula | C21H20ClN3O3S |
|---|---|
| Molecular Weight | 429.09 g/mol |
| LogP | 4.31592 |
| Topological Polar Surface Area | 71.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.0914 |
| Heavy Atoms | 29 |
| Complexity | 1223.8999 |
Chemical Identifiers
| CAS Number | 442650-01-3 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C=C(C(=N2)Cl)C3CC(=NN3S(=O)(=O)C)C4=CC=C(C=C4)OC |
Product Overview
2-chloro-3-(3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-8-methylquinoline (CAS 442650-01-3), with molecular formula C21H20ClN3O3S and molecular weight 429.09 g/mol. IUPAC: 2-chloro-3-[5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-8-methylquinoline.
Chemical Property Profile of 2-chloro-3-(3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-8-methylquinoline
Property Insights of 2-chloro-3-(3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-8-methylquinoline
The XLogP value of 4.31592 indicates that 2-chloro-3-(3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-8-methylquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-3-(3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-8-methylquinoline. Following Lipinski's Rule of Five, 2-chloro-3-(3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-8-methylquinoline 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-3-(3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-8-methylquinoline?
The CAS number of 2-chloro-3-(3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-8-methylquinoline is 442650-01-3.
What is the molecular formula of 2-chloro-3-(3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-8-methylquinoline?
The molecular formula of 2-chloro-3-(3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-8-methylquinoline is C21H20ClN3O3S.
What is the molecular weight of 2-chloro-3-(3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-8-methylquinoline?
The molecular weight of 2-chloro-3-(3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-8-methylquinoline is 429.09 g/mol.
Where can I buy 2-chloro-3-(3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-8-methylquinoline?
You can request a quote for 2-chloro-3-(3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-8-methylquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-3-(3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-8-methylquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-3-(3-(4-methoxyphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-8-methylquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.