4-Butyl-4-(2-nitrobenzyl)-1,2-diphenylpyrazolidine-3,5-dione
TL;DR: 4-Butyl-4-(2-nitrobenzyl)-1,2-diphenylpyrazolidine-3,5-dione (CAS 346446-29-5) is a chemical compound with molecular formula C26H25N3O4 and molecular weight 443.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-4-[(2-nitrophenyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione
Also Known As: 4-butyl-4-(2-nitrobenzyl)-1,2-diphenylpyrazolidine-3,5-dione, 4-butyl-4-[(2-nitrophenyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione, 4-butyl-4-(2-nitrobenzyl)-1,2-diphenyl-3,5-pyrazolidinedione
| Molecular Formula | C26H25N3O4 |
|---|---|
| Molecular Weight | 443.18 g/mol |
| LogP | 5.3089 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.1845 |
| Heavy Atoms | 33 |
| Complexity | 1106.9241 |
Chemical Identifiers
| CAS Number | 346446-29-5 |
|---|---|
| SMILES | CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4[N+](=O)[O-] |
Product Overview
4-Butyl-4-(2-nitrobenzyl)-1,2-diphenylpyrazolidine-3,5-dione (CAS 346446-29-5), with molecular formula C26H25N3O4 and molecular weight 443.18 g/mol. IUPAC: 4-butyl-4-[(2-nitrophenyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione.
Chemical Property Profile of 4-Butyl-4-(2-nitrobenzyl)-1,2-diphenylpyrazolidine-3,5-dione
Property Insights of 4-Butyl-4-(2-nitrobenzyl)-1,2-diphenylpyrazolidine-3,5-dione
The XLogP value of 5.3089 indicates that 4-Butyl-4-(2-nitrobenzyl)-1,2-diphenylpyrazolidine-3,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Butyl-4-(2-nitrobenzyl)-1,2-diphenylpyrazolidine-3,5-dione. Following Lipinski's Rule of Five, 4-Butyl-4-(2-nitrobenzyl)-1,2-diphenylpyrazolidine-3,5-dione 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-Butyl-4-(2-nitrobenzyl)-1,2-diphenylpyrazolidine-3,5-dione?
The CAS number of 4-Butyl-4-(2-nitrobenzyl)-1,2-diphenylpyrazolidine-3,5-dione is 346446-29-5.
What is the molecular formula of 4-Butyl-4-(2-nitrobenzyl)-1,2-diphenylpyrazolidine-3,5-dione?
The molecular formula of 4-Butyl-4-(2-nitrobenzyl)-1,2-diphenylpyrazolidine-3,5-dione is C26H25N3O4.
What is the molecular weight of 4-Butyl-4-(2-nitrobenzyl)-1,2-diphenylpyrazolidine-3,5-dione?
The molecular weight of 4-Butyl-4-(2-nitrobenzyl)-1,2-diphenylpyrazolidine-3,5-dione is 443.18 g/mol.
Where can I buy 4-Butyl-4-(2-nitrobenzyl)-1,2-diphenylpyrazolidine-3,5-dione?
You can request a quote for 4-Butyl-4-(2-nitrobenzyl)-1,2-diphenylpyrazolidine-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butyl-4-(2-nitrobenzyl)-1,2-diphenylpyrazolidine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Butyl-4-(2-nitrobenzyl)-1,2-diphenylpyrazolidine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.