Isoproturon
TL;DR: Isoproturon (CAS 34123-59-6) is a chemical compound with molecular formula C12H18N2O and molecular weight 206.1419 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-dimethyl-3-(4-propan-2-ylphenyl)urea
Also Known As: ISOPROTURON, Graminon, Tolkan, Arelon, Belgran
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H18N2O |
| Molecular Weight | 206.1419 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.1419 Da |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
| Melting Point | 158 °C |
| Density | 1.2 at 20 °C |
| Flash Point | 100 °C (212 °F) - closed cup |
| Vapor Pressure | 9.1X10-3 mPa /2.47X10-8 mm Hg/ at 25 °C |
| Solubility | In water, 65 mg/L at 22 °C |
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)N(C)C |
| InChIKey | PUIYMUZLKQOUOZ-UHFFFAOYSA-N |
Chemical Property Profile of Isoproturon
Property Insights of Isoproturon
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoproturon. With a topological polar surface area (TPSA) of 32.3 Ų, Isoproturon exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoproturon has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isoproturon?
The CAS number of Isoproturon is 34123-59-6.
What is the molecular formula of Isoproturon?
The molecular formula of Isoproturon is C12H18N2O.
What is the molecular weight of Isoproturon?
The molecular weight of Isoproturon is 206.1419 g/mol.
Where can I buy Isoproturon?
You can request a quote for Isoproturon directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoproturon?
Yes, CoreyChem provides custom synthesis services for Isoproturon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.