Irgarol
TL;DR: Irgarol (CAS 28159-98-0) is a chemical compound with molecular formula C11H19N5S and molecular weight 253.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-tert-butyl-4-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
Also Known As: Cybutryne, Irgarol, Irgarol 1051, Cybutrin, Cybutryne [ISO]
| Molecular Formula | C11H19N5S |
|---|---|
| Molecular Weight | 253.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.13612 |
| Heavy Atoms | 17 |
| Complexity | 251.0 |
| Melting Point | 128-133 °C |
| Solubility | In water, 7 mg/L |
| Vapor Pressure | 6.6X10-7 mm Hg |
Chemical Identifiers
| CAS Number | 28159-98-0 |
|---|---|
| SMILES | CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)SC |
| InChIKey | HDHLIWCXDDZUFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Irgarol (CAS 28159-98-0), with molecular formula C11H19N5S and molecular weight 253.14 g/mol. IUPAC: 2-N-tert-butyl-4-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of Irgarol
Property Insights of Irgarol
The XLogP value of 3.9 indicates that Irgarol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Irgarol. Following Lipinski's Rule of Five, Irgarol has 2 hydrogen bond donor(s) and 6 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 Irgarol?
The CAS number of Irgarol is 28159-98-0.
What is the molecular formula of Irgarol?
The molecular formula of Irgarol is C11H19N5S.
What is the molecular weight of Irgarol?
The molecular weight of Irgarol is 253.14 g/mol.
Where can I buy Irgarol?
You can request a quote for Irgarol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Irgarol?
Yes, KEHONG BIO provides custom synthesis services for Irgarol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.