4-Butyl-1-(4-nitrophenyl)-2-phenyl-3,5-pyrazolidinedione
TL;DR: 4-Butyl-1-(4-nitrophenyl)-2-phenyl-3,5-pyrazolidinedione (CAS 746-48-5) is a chemical compound with molecular formula C19H19N3O4 and molecular weight 353.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-1-(4-nitrophenyl)-2-phenylpyrazolidine-3,5-dione
Also Known As: 4-butyl-1-(4-nitrophenyl)-2-phenylpyrazolidine-3,5-dione, G 28234, 4-Butyl-2-(p-nitrophenyl)-1-phenyl-3,5-pyrazolidinedione, G-28234, 3,5-Pyrazolidinedione, 4-butyl-2-(p-nitrophenyl)-1-phenyl-
| Molecular Formula | C19H19N3O4 |
|---|---|
| Molecular Weight | 353.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.13754 |
| Heavy Atoms | 26 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 746-48-5 |
|---|---|
| SMILES | CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 |
| InChIKey | KJPMBLKPXKLTAL-UHFFFAOYSA-N |
Product Overview
4-Butyl-1-(4-nitrophenyl)-2-phenyl-3,5-pyrazolidinedione (CAS 746-48-5), with molecular formula C19H19N3O4 and molecular weight 353.14 g/mol. IUPAC: 4-butyl-1-(4-nitrophenyl)-2-phenylpyrazolidine-3,5-dione.
Chemical Property Profile of 4-Butyl-1-(4-nitrophenyl)-2-phenyl-3,5-pyrazolidinedione
Property Insights of 4-Butyl-1-(4-nitrophenyl)-2-phenyl-3,5-pyrazolidinedione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Butyl-1-(4-nitrophenyl)-2-phenyl-3,5-pyrazolidinedione. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Butyl-1-(4-nitrophenyl)-2-phenyl-3,5-pyrazolidinedione. Following Lipinski's Rule of Five, 4-Butyl-1-(4-nitrophenyl)-2-phenyl-3,5-pyrazolidinedione has 0 hydrogen bond donor(s) and 4 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 4-Butyl-1-(4-nitrophenyl)-2-phenyl-3,5-pyrazolidinedione?
The CAS number of 4-Butyl-1-(4-nitrophenyl)-2-phenyl-3,5-pyrazolidinedione is 746-48-5.
What is the molecular formula of 4-Butyl-1-(4-nitrophenyl)-2-phenyl-3,5-pyrazolidinedione?
The molecular formula of 4-Butyl-1-(4-nitrophenyl)-2-phenyl-3,5-pyrazolidinedione is C19H19N3O4.
What is the molecular weight of 4-Butyl-1-(4-nitrophenyl)-2-phenyl-3,5-pyrazolidinedione?
The molecular weight of 4-Butyl-1-(4-nitrophenyl)-2-phenyl-3,5-pyrazolidinedione is 353.14 g/mol.
Where can I buy 4-Butyl-1-(4-nitrophenyl)-2-phenyl-3,5-pyrazolidinedione?
You can request a quote for 4-Butyl-1-(4-nitrophenyl)-2-phenyl-3,5-pyrazolidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butyl-1-(4-nitrophenyl)-2-phenyl-3,5-pyrazolidinedione?
Yes, KEHONG BIO provides custom synthesis services for 4-Butyl-1-(4-nitrophenyl)-2-phenyl-3,5-pyrazolidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.