3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-
TL;DR: 3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1,2-diphenyl- (CAS 5420-67-7) is a chemical compound with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-4-(hydroxymethyl)-1,2-diphenylpyrazolidine-3,5-dione
Also Known As: 4-Hydroxymethylphenylbutazone, Hydroxymethylphenylbutazone, Adamantoylcytarabine, 4-Hydroxymethylbutazolidine, Maybridge4_002874
| Molecular Formula | C20H22N2O3 |
|---|---|
| Molecular Weight | 338.16 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.16306 |
| Heavy Atoms | 25 |
| Complexity | 445.0 |
| Solubility | 50.2 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 5420-67-7 |
|---|---|
| SMILES | CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)CO |
| InChIKey | VCUPPSLLQJDTJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1,2-diphenyl- (CAS 5420-67-7), with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol. IUPAC: 4-butyl-4-(hydroxymethyl)-1,2-diphenylpyrazolidine-3,5-dione.
Chemical Property Profile of 3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-
Property Insights of 3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-
The XLogP value of 4.1 indicates that 3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1,2-diphenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-. Following Lipinski's Rule of Five, 3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1,2-diphenyl- has 1 hydrogen bond donor(s) and 3 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 3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-?
The CAS number of 3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1,2-diphenyl- is 5420-67-7.
What is the molecular formula of 3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-?
The molecular formula of 3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1,2-diphenyl- is C20H22N2O3.
What is the molecular weight of 3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-?
The molecular weight of 3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1,2-diphenyl- is 338.16 g/mol.
Where can I buy 3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-?
You can request a quote for 3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1,2-diphenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1,2-diphenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Pyrazolidinedione, 4-butyl-4-(hydroxymethyl)-1,2-diphenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.