3-(TERT-BUTYL)-4-((2-(4-CHLOROPHENYLTHIO)-5-NITROPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE
TL;DR: 3-(TERT-BUTYL)-4-((2-(4-CHLOROPHENYLTHIO)-5-NITROPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE (CAS 1024741-19-2) is a chemical compound with molecular formula C26H22ClN3O3S and molecular weight 491.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-4-[[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]methylidene]-2-phenylpyrazol-3-one
Also Known As: 3-(TERT-BUTYL)-4-((2-(4-CHLOROPHENYLTHIO)-5-NITROPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE, 3-(tert-butyl)-4-((Z)-{2-[(4-chlorophenyl)sulfanyl]-5-nitrophenyl}methylidene)-1-phenyl-1H-pyrazol-5-one, 4-[[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]methylidene]-2-phenyl-5-tert-butyl-pyrazol-3-one, 5-tert-butyl-4-[[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]methylene]-2-phenyl-pyrazol-3-one, 5-tert-butyl-4-[[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]methylidene]-2-phenylpyrazol-3-one
| Molecular Formula | C26H22ClN3O3S |
|---|---|
| Molecular Weight | 491.11 g/mol |
| LogP | 7.2317 |
| Topological Polar Surface Area | 75.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.10703 |
| Heavy Atoms | 34 |
| Complexity | 1313.3676 |
Chemical Identifiers
| CAS Number | 1024741-19-2 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl)C4=CC=CC=C4 |
Product Overview
3-(TERT-BUTYL)-4-((2-(4-CHLOROPHENYLTHIO)-5-NITROPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE (CAS 1024741-19-2), with molecular formula C26H22ClN3O3S and molecular weight 491.11 g/mol. IUPAC: 5-tert-butyl-4-[[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]methylidene]-2-phenylpyrazol-3-one.
Chemical Property Profile of 3-(TERT-BUTYL)-4-((2-(4-CHLOROPHENYLTHIO)-5-NITROPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE
Property Insights of 3-(TERT-BUTYL)-4-((2-(4-CHLOROPHENYLTHIO)-5-NITROPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE
The XLogP value of 7.2317 indicates that 3-(TERT-BUTYL)-4-((2-(4-CHLOROPHENYLTHIO)-5-NITROPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(TERT-BUTYL)-4-((2-(4-CHLOROPHENYLTHIO)-5-NITROPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE. Following Lipinski's Rule of Five, 3-(TERT-BUTYL)-4-((2-(4-CHLOROPHENYLTHIO)-5-NITROPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(TERT-BUTYL)-4-((2-(4-CHLOROPHENYLTHIO)-5-NITROPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE?
The CAS number of 3-(TERT-BUTYL)-4-((2-(4-CHLOROPHENYLTHIO)-5-NITROPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE is 1024741-19-2.
What is the molecular formula of 3-(TERT-BUTYL)-4-((2-(4-CHLOROPHENYLTHIO)-5-NITROPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE?
The molecular formula of 3-(TERT-BUTYL)-4-((2-(4-CHLOROPHENYLTHIO)-5-NITROPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE is C26H22ClN3O3S.
What is the molecular weight of 3-(TERT-BUTYL)-4-((2-(4-CHLOROPHENYLTHIO)-5-NITROPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE?
The molecular weight of 3-(TERT-BUTYL)-4-((2-(4-CHLOROPHENYLTHIO)-5-NITROPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE is 491.11 g/mol.
Where can I buy 3-(TERT-BUTYL)-4-((2-(4-CHLOROPHENYLTHIO)-5-NITROPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE?
You can request a quote for 3-(TERT-BUTYL)-4-((2-(4-CHLOROPHENYLTHIO)-5-NITROPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(TERT-BUTYL)-4-((2-(4-CHLOROPHENYLTHIO)-5-NITROPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE?
Yes, KEHONG BIO provides custom synthesis services for 3-(TERT-BUTYL)-4-((2-(4-CHLOROPHENYLTHIO)-5-NITROPHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.