3-(3-(4-bromophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-chloro-8-methylquinoline
TL;DR: 3-(3-(4-bromophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-chloro-8-methylquinoline (CAS 442649-97-0) is a chemical compound with molecular formula C20H17BrClN3O2S and molecular weight 476.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(4-bromophenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-2-chloro-8-methylquinoline
Also Known As: 3-(3-(4-bromophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-chloro-8-methylquinoline, F1138-0079, 3-[5-(4-bromophenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-2-chloro-8-methylquinoline, 3-[3-(4-bromophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl]-2-chloro-8-methylquinoline, 3-[3-(4-BROMOPHENYL)-1-METHANESULFONYL-4,5-DIHYDRO-1H-PYRAZOL-5-YL]-2-CHLORO-8-METHYLQUINOLINE
| Molecular Formula | C20H17BrClN3O2S |
|---|---|
| Molecular Weight | 476.99 g/mol |
| LogP | 5.06982 |
| Topological Polar Surface Area | 62.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 476.99133 |
| Heavy Atoms | 28 |
| Complexity | 1210.0979 |
Chemical Identifiers
| CAS Number | 442649-97-0 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C=C(C(=N2)Cl)C3CC(=NN3S(=O)(=O)C)C4=CC=C(C=C4)Br |
Product Overview
3-(3-(4-bromophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-chloro-8-methylquinoline (CAS 442649-97-0), with molecular formula C20H17BrClN3O2S and molecular weight 476.99 g/mol. IUPAC: 3-[5-(4-bromophenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-2-chloro-8-methylquinoline.
Chemical Property Profile of 3-(3-(4-bromophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-chloro-8-methylquinoline
Property Insights of 3-(3-(4-bromophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-chloro-8-methylquinoline
The XLogP value of 5.06982 indicates that 3-(3-(4-bromophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-chloro-8-methylquinoline 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 3-(3-(4-bromophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-chloro-8-methylquinoline. Following Lipinski's Rule of Five, 3-(3-(4-bromophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-chloro-8-methylquinoline has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3-(4-bromophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-chloro-8-methylquinoline?
The CAS number of 3-(3-(4-bromophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-chloro-8-methylquinoline is 442649-97-0.
What is the molecular formula of 3-(3-(4-bromophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-chloro-8-methylquinoline?
The molecular formula of 3-(3-(4-bromophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-chloro-8-methylquinoline is C20H17BrClN3O2S.
What is the molecular weight of 3-(3-(4-bromophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-chloro-8-methylquinoline?
The molecular weight of 3-(3-(4-bromophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-chloro-8-methylquinoline is 476.99 g/mol.
Where can I buy 3-(3-(4-bromophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-chloro-8-methylquinoline?
You can request a quote for 3-(3-(4-bromophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-chloro-8-methylquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-(4-bromophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-chloro-8-methylquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-(4-bromophenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl)-2-chloro-8-methylquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.