3-(TERT-BUTYL)-1-(4-NITROPHENYL)-4-((3,4,5-TRIMETHOXYPHENYL)METHYLENE)-2-PYRAZOLIN-5-ONE
TL;DR: 3-(TERT-BUTYL)-1-(4-NITROPHENYL)-4-((3,4,5-TRIMETHOXYPHENYL)METHYLENE)-2-PYRAZOLIN-5-ONE (CAS 1025878-53-8) is a chemical compound with molecular formula C23H25N3O6 and molecular weight 439.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2-(4-nitrophenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrazol-3-one
Also Known As: 3-(TERT-BUTYL)-1-(4-NITROPHENYL)-4-((3,4,5-TRIMETHOXYPHENYL)METHYLENE)-2-PYRAZOLIN-5-ONE, 2-(4-nitrophenyl)-5-tert-butyl-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrazol-3-one, 5-tert-butyl-2-(4-nitrophenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrazol-3-one, 3-(tert-butyl)-1-(4-nitrophenyl)-4-[(Z)-(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrazol-5-one
| Molecular Formula | C23H25N3O6 |
|---|---|
| Molecular Weight | 439.17 g/mol |
| LogP | 4.4529 |
| Topological Polar Surface Area | 103.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.17435 |
| Heavy Atoms | 32 |
| Complexity | 1088.537 |
Chemical Identifiers
| CAS Number | 1025878-53-8 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=O)C1=CC2=CC(=C(C(=C2)OC)OC)OC)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-(TERT-BUTYL)-1-(4-NITROPHENYL)-4-((3,4,5-TRIMETHOXYPHENYL)METHYLENE)-2-PYRAZOLIN-5-ONE (CAS 1025878-53-8), with molecular formula C23H25N3O6 and molecular weight 439.17 g/mol. IUPAC: 5-tert-butyl-2-(4-nitrophenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrazol-3-one.
Chemical Property Profile of 3-(TERT-BUTYL)-1-(4-NITROPHENYL)-4-((3,4,5-TRIMETHOXYPHENYL)METHYLENE)-2-PYRAZOLIN-5-ONE
Property Insights of 3-(TERT-BUTYL)-1-(4-NITROPHENYL)-4-((3,4,5-TRIMETHOXYPHENYL)METHYLENE)-2-PYRAZOLIN-5-ONE
The XLogP value of 4.4529 indicates that 3-(TERT-BUTYL)-1-(4-NITROPHENYL)-4-((3,4,5-TRIMETHOXYPHENYL)METHYLENE)-2-PYRAZOLIN-5-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(TERT-BUTYL)-1-(4-NITROPHENYL)-4-((3,4,5-TRIMETHOXYPHENYL)METHYLENE)-2-PYRAZOLIN-5-ONE. Following Lipinski's Rule of Five, 3-(TERT-BUTYL)-1-(4-NITROPHENYL)-4-((3,4,5-TRIMETHOXYPHENYL)METHYLENE)-2-PYRAZOLIN-5-ONE has 0 hydrogen bond donor(s) and 7 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 3-(TERT-BUTYL)-1-(4-NITROPHENYL)-4-((3,4,5-TRIMETHOXYPHENYL)METHYLENE)-2-PYRAZOLIN-5-ONE?
The CAS number of 3-(TERT-BUTYL)-1-(4-NITROPHENYL)-4-((3,4,5-TRIMETHOXYPHENYL)METHYLENE)-2-PYRAZOLIN-5-ONE is 1025878-53-8.
What is the molecular formula of 3-(TERT-BUTYL)-1-(4-NITROPHENYL)-4-((3,4,5-TRIMETHOXYPHENYL)METHYLENE)-2-PYRAZOLIN-5-ONE?
The molecular formula of 3-(TERT-BUTYL)-1-(4-NITROPHENYL)-4-((3,4,5-TRIMETHOXYPHENYL)METHYLENE)-2-PYRAZOLIN-5-ONE is C23H25N3O6.
What is the molecular weight of 3-(TERT-BUTYL)-1-(4-NITROPHENYL)-4-((3,4,5-TRIMETHOXYPHENYL)METHYLENE)-2-PYRAZOLIN-5-ONE?
The molecular weight of 3-(TERT-BUTYL)-1-(4-NITROPHENYL)-4-((3,4,5-TRIMETHOXYPHENYL)METHYLENE)-2-PYRAZOLIN-5-ONE is 439.17 g/mol.
Where can I buy 3-(TERT-BUTYL)-1-(4-NITROPHENYL)-4-((3,4,5-TRIMETHOXYPHENYL)METHYLENE)-2-PYRAZOLIN-5-ONE?
You can request a quote for 3-(TERT-BUTYL)-1-(4-NITROPHENYL)-4-((3,4,5-TRIMETHOXYPHENYL)METHYLENE)-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)-1-(4-NITROPHENYL)-4-((3,4,5-TRIMETHOXYPHENYL)METHYLENE)-2-PYRAZOLIN-5-ONE?
Yes, KEHONG BIO provides custom synthesis services for 3-(TERT-BUTYL)-1-(4-NITROPHENYL)-4-((3,4,5-TRIMETHOXYPHENYL)METHYLENE)-2-PYRAZOLIN-5-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.