4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE
TL;DR: 4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE (CAS 1025673-99-7) is a chemical compound with molecular formula C20H17Cl2N3O3 and molecular weight 417.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-4-[(2,4-dichlorophenyl)methylidene]-2-(4-nitrophenyl)pyrazol-3-one
Also Known As: 4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE, 4-[(2,4-dichlorophenyl)methylidene]-2-(4-nitrophenyl)-5-tert-butyl-pyrazol-3-one, 5-tert-butyl-4-[(2,4-dichlorophenyl)methylene]-2-(4-nitrophenyl)pyrazol-3-one, 5-tert-butyl-4-[(2,4-dichlorophenyl)methylidene]-2-(4-nitrophenyl)pyrazol-3-one, 3-(tert-butyl)-4-[(Z)-(2,4-dichlorophenyl)methylidene]-1-(4-nitrophenyl)-1H-pyrazol-5-one
| Molecular Formula | C20H17Cl2N3O3 |
|---|---|
| Molecular Weight | 417.06 g/mol |
| LogP | 5.7339 |
| Topological Polar Surface Area | 75.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.0647 |
| Heavy Atoms | 28 |
| Complexity | 1021.9817 |
Chemical Identifiers
| CAS Number | 1025673-99-7 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=O)C1=CC2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE (CAS 1025673-99-7), with molecular formula C20H17Cl2N3O3 and molecular weight 417.06 g/mol. IUPAC: 5-tert-butyl-4-[(2,4-dichlorophenyl)methylidene]-2-(4-nitrophenyl)pyrazol-3-one.
Chemical Property Profile of 4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE
Property Insights of 4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE
The XLogP value of 5.7339 indicates that 4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-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 4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE. Following Lipinski's Rule of Five, 4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE 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 4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE?
The CAS number of 4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE is 1025673-99-7.
What is the molecular formula of 4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE?
The molecular formula of 4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE is C20H17Cl2N3O3.
What is the molecular weight of 4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE?
The molecular weight of 4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE is 417.06 g/mol.
Where can I buy 4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE?
You can request a quote for 4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-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 4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE?
Yes, KEHONG BIO provides custom synthesis services for 4-((2,4-DICHLOROPHENYL)METHYLENE)-3-(TERT-BUTYL)-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.