N-benzyl-3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
TL;DR: N-benzyl-3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 377764-96-0) is a chemical compound with molecular formula C32H24Cl2N4OS and molecular weight 582.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(2-chlorophenyl)-3,4-dihydropyrazole-2-carbothioamide
Also Known As: N-benzyl-3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide, F0742-0047, N-benzyl-3-(6-chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide, N-benzyl-5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(2-chlorophenyl)-3,4-dihydropyrazole-2-carbothioamide, (3E)-N-benzyl-3-(6-chloro-2-oxo-4-phenylquinolin-3-ylidene)-5-(2-chlorophenyl)pyrazolidine-1-carbothioamide
| Molecular Formula | C32H24Cl2N4OS |
|---|---|
| Molecular Weight | 582.10 g/mol |
| LogP | 7.7277 |
| Topological Polar Surface Area | 60.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 582.1048 |
| Heavy Atoms | 40 |
| Complexity | 1805.3219 |
Chemical Identifiers
| CAS Number | 377764-96-0 |
|---|---|
| SMILES | C1C(N(N=C1C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C(=S)NCC5=CC=CC=C5)C6=CC=CC=C6Cl |
Product Overview
N-benzyl-3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 377764-96-0), with molecular formula C32H24Cl2N4OS and molecular weight 582.10 g/mol. IUPAC: N-benzyl-5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(2-chlorophenyl)-3,4-dihydropyrazole-2-carbothioamide.
Chemical Property Profile of N-benzyl-3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
Property Insights of N-benzyl-3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
The XLogP value of 7.7277 indicates that N-benzyl-3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.49 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide. Following Lipinski's Rule of Five, N-benzyl-3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-benzyl-3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The CAS number of N-benzyl-3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide is 377764-96-0.
What is the molecular formula of N-benzyl-3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular formula of N-benzyl-3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide is C32H24Cl2N4OS.
What is the molecular weight of N-benzyl-3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular weight of N-benzyl-3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide is 582.10 g/mol.
Where can I buy N-benzyl-3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide?
You can request a quote for N-benzyl-3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-(6-chloro-2-hydroxy-4-phenylquinolin-3-yl)-5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.