Irgapyrin
TL;DR: Irgapyrin (CAS 8064-79-7) is a chemical compound with molecular formula C32H37N5O3 and molecular weight 539.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-1,2-diphenylpyrazolidine-3,5-dione;4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: Irgapyrin, Wofapyrin, Irgapyrine, Pabialgin, Rheopyrine
| Molecular Formula | C32H37N5O3 |
|---|---|
| Molecular Weight | 539.29 g/mol |
| LogP | 5.33822 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 539.2896 |
| Heavy Atoms | 40 |
| Complexity | 732.0 |
Chemical Identifiers
| CAS Number | 8064-79-7 |
|---|---|
| SMILES | CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C |
| InChIKey | FQUTYCCWVYCBGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Irgapyrin (CAS 8064-79-7), with molecular formula C32H37N5O3 and molecular weight 539.29 g/mol. IUPAC: 4-butyl-1,2-diphenylpyrazolidine-3,5-dione;4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of Irgapyrin
Property Insights of Irgapyrin
The XLogP value of 5.33822 indicates that Irgapyrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Irgapyrin. Following Lipinski's Rule of Five, Irgapyrin has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Irgapyrin?
The CAS number of Irgapyrin is 8064-79-7.
What is the molecular formula of Irgapyrin?
The molecular formula of Irgapyrin is C32H37N5O3.
What is the molecular weight of Irgapyrin?
The molecular weight of Irgapyrin is 539.29 g/mol.
Where can I buy Irgapyrin?
You can request a quote for Irgapyrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Irgapyrin?
Yes, KEHONG BIO provides custom synthesis services for Irgapyrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.