(4-Butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl hexadecanoate
TL;DR: (4-Butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl hexadecanoate (CAS 42190-59-0) is a chemical compound with molecular formula C36H52N2O4 and molecular weight 576.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl hexadecanoate
Also Known As: Palmitan hydroxymethylfenylbutazon, Palmitan hydroxymethylfenylbutazon [Czech], 5-25-02-00417 (Beilstein Handbook Reference), Hexadecanoic acid, (4-butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)methyl ester, (4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl hexadecanoate
| Molecular Formula | C36H52N2O4 |
|---|---|
| Molecular Weight | 576.39 g/mol |
| LogP | 9.1825 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 576.3927 |
| Heavy Atoms | 42 |
| Complexity | 1014.8206 |
Chemical Identifiers
| CAS Number | 42190-59-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CCCC |
Product Overview
(4-Butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl hexadecanoate (CAS 42190-59-0), with molecular formula C36H52N2O4 and molecular weight 576.39 g/mol. IUPAC: (4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl hexadecanoate.
Chemical Property Profile of (4-Butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl hexadecanoate
Property Insights of (4-Butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl hexadecanoate
The XLogP value of 9.1825 indicates that (4-Butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl hexadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl hexadecanoate. Following Lipinski's Rule of Five, (4-Butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl hexadecanoate 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-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl hexadecanoate?
The CAS number of (4-Butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl hexadecanoate is 42190-59-0.
What is the molecular formula of (4-Butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl hexadecanoate?
The molecular formula of (4-Butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl hexadecanoate is C36H52N2O4.
What is the molecular weight of (4-Butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl hexadecanoate?
The molecular weight of (4-Butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl hexadecanoate is 576.39 g/mol.
Where can I buy (4-Butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl hexadecanoate?
You can request a quote for (4-Butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl hexadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl hexadecanoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl hexadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.