Pyrinuron
TL;DR: Pyrinuron (CAS 53558-25-1) is a chemical compound with molecular formula C13H12N4O3 and molecular weight 272.09094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-nitrophenyl)-3-(pyridin-3-ylmethyl)urea
Also Known As: Pyrinuron, Vacor, Pyriminyl, PYRIMINIL, One Time
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H12N4O3 |
| Molecular Weight | 272.09094 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 99.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.09094 Da |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
| Melting Point | Decomposes at 433 °F (EPA, 1998) |
| Vapor Pressure | 3.39X10-9 mm Hg at 25 °C /Estimated/ |
| Solubility | In water, 4.81X10+2 mg/L at 25 °C /Estimated/ |
| SMILES | C1=CC(=CN=C1)CNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | CLKZWXHKFXZIMA-UHFFFAOYSA-N |
Chemical Property Profile of Pyrinuron
Property Insights of Pyrinuron
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrinuron. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrinuron. Following Lipinski's Rule of Five, Pyrinuron has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pyrinuron?
The CAS number of Pyrinuron is 53558-25-1.
What is the molecular formula of Pyrinuron?
The molecular formula of Pyrinuron is C13H12N4O3.
What is the molecular weight of Pyrinuron?
The molecular weight of Pyrinuron is 272.09094 g/mol.
Where can I buy Pyrinuron?
You can request a quote for Pyrinuron directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrinuron?
Yes, CoreyChem provides custom synthesis services for Pyrinuron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.