3H-Pyrazol-3-one, 5-ethoxy-2,4-dihydro-2-(4-nitrophenyl)-
TL;DR: 3H-Pyrazol-3-one, 5-ethoxy-2,4-dihydro-2-(4-nitrophenyl)- (CAS 4105-90-2) is a chemical compound with molecular formula C11H11N3O4 and molecular weight 249.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethoxy-2-(4-nitrophenyl)-4H-pyrazol-3-one
Also Known As: 3-Ethoxy-1-(4-nitrophenyl)-2-pyrazolin-5-one, 3H-Pyrazol-3-one, 5-ethoxy-2,4-dihydro-2-(4-nitrophenyl)-, Uridine 2',3',5'-triacetate, 5-ethoxy-2-(4-nitrophenyl)-4H-pyrazol-3-one, 5-Ethoxy-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C11H11N3O4 |
|---|---|
| Molecular Weight | 249.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.07495 |
| Heavy Atoms | 18 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 4105-90-2 |
|---|---|
| SMILES | CCOC1=NN(C(=O)C1)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | XWXGLGWXBJDMPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3H-Pyrazol-3-one, 5-ethoxy-2,4-dihydro-2-(4-nitrophenyl)- (CAS 4105-90-2), with molecular formula C11H11N3O4 and molecular weight 249.07 g/mol. IUPAC: 5-ethoxy-2-(4-nitrophenyl)-4H-pyrazol-3-one.
Chemical Property Profile of 3H-Pyrazol-3-one, 5-ethoxy-2,4-dihydro-2-(4-nitrophenyl)-
Property Insights of 3H-Pyrazol-3-one, 5-ethoxy-2,4-dihydro-2-(4-nitrophenyl)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Pyrazol-3-one, 5-ethoxy-2,4-dihydro-2-(4-nitrophenyl)-. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-Pyrazol-3-one, 5-ethoxy-2,4-dihydro-2-(4-nitrophenyl)-. Following Lipinski's Rule of Five, 3H-Pyrazol-3-one, 5-ethoxy-2,4-dihydro-2-(4-nitrophenyl)- has 0 hydrogen bond donor(s) and 5 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 3H-Pyrazol-3-one, 5-ethoxy-2,4-dihydro-2-(4-nitrophenyl)-?
The CAS number of 3H-Pyrazol-3-one, 5-ethoxy-2,4-dihydro-2-(4-nitrophenyl)- is 4105-90-2.
What is the molecular formula of 3H-Pyrazol-3-one, 5-ethoxy-2,4-dihydro-2-(4-nitrophenyl)-?
The molecular formula of 3H-Pyrazol-3-one, 5-ethoxy-2,4-dihydro-2-(4-nitrophenyl)- is C11H11N3O4.
What is the molecular weight of 3H-Pyrazol-3-one, 5-ethoxy-2,4-dihydro-2-(4-nitrophenyl)-?
The molecular weight of 3H-Pyrazol-3-one, 5-ethoxy-2,4-dihydro-2-(4-nitrophenyl)- is 249.07 g/mol.
Where can I buy 3H-Pyrazol-3-one, 5-ethoxy-2,4-dihydro-2-(4-nitrophenyl)-?
You can request a quote for 3H-Pyrazol-3-one, 5-ethoxy-2,4-dihydro-2-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Pyrazol-3-one, 5-ethoxy-2,4-dihydro-2-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3H-Pyrazol-3-one, 5-ethoxy-2,4-dihydro-2-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.