Desmethylfluometuron
TL;DR: Desmethylfluometuron (CAS 3032-40-4) is a chemical compound with molecular formula C9H9F3N2O and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: Demethylfluometuron, Desmethylfluometuron, FLUOMETURON-DESMETHYL, 1-Methyl-3-(3-(trifluoromethyl)phenyl)urea, 1-methyl-3-[3-(trifluoromethyl)phenyl]urea
| Molecular Formula | C9H9F3N2O |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.0667 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 3032-40-4 |
|---|---|
| SMILES | CNC(=O)NC1=CC=CC(=C1)C(F)(F)F |
| InChIKey | SPOVEJAPXRPMBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Desmethylfluometuron (CAS 3032-40-4), with molecular formula C9H9F3N2O and molecular weight 218.07 g/mol. IUPAC: 1-methyl-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of Desmethylfluometuron
Property Insights of Desmethylfluometuron
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desmethylfluometuron. With a topological polar surface area (TPSA) of 41.1 Ų, Desmethylfluometuron exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Desmethylfluometuron 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
Frequently Asked Questions
What is the CAS number of Desmethylfluometuron?
The CAS number of Desmethylfluometuron is 3032-40-4.
What is the molecular formula of Desmethylfluometuron?
The molecular formula of Desmethylfluometuron is C9H9F3N2O.
What is the molecular weight of Desmethylfluometuron?
The molecular weight of Desmethylfluometuron is 218.07 g/mol.
Where can I buy Desmethylfluometuron?
You can request a quote for Desmethylfluometuron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desmethylfluometuron?
Yes, KEHONG BIO provides custom synthesis services for Desmethylfluometuron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.