Metobromuron
TL;DR: Metobromuron (CAS 3060-89-7) is a chemical compound with molecular formula C9H11BrN2O2 and molecular weight 258.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-1-methoxy-1-methylurea
Also Known As: METOBROMURON, Metbromuron, Monobromuron, Pattonex, Patoran
| Molecular Formula | C9H11BrN2O2 |
|---|---|
| Molecular Weight | 258.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.0004 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
| Melting Point | 95-96 °C |
| Solubility | IN WATER: 320 PPM AT 20 °C; SOL IN METHANOL, ETHANOL, ACETONE, CHLOROFORM |
| Vapor Pressure | 0.000003 [mmHg] |
Chemical Identifiers
| CAS Number | 3060-89-7 |
|---|---|
| SMILES | CN(C(=O)NC1=CC=C(C=C1)Br)OC |
| InChIKey | WLFDQEVORAMCIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Metobromuron (CAS 3060-89-7), with molecular formula C9H11BrN2O2 and molecular weight 258.00 g/mol. IUPAC: 3-(4-bromophenyl)-1-methoxy-1-methylurea.
Chemical Property Profile of Metobromuron
Property Insights of Metobromuron
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Metobromuron. With a topological polar surface area (TPSA) of 41.6 Ų, Metobromuron exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Metobromuron has 1 hydrogen bond donor(s) and 2 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 Metobromuron?
The CAS number of Metobromuron is 3060-89-7.
What is the molecular formula of Metobromuron?
The molecular formula of Metobromuron is C9H11BrN2O2.
What is the molecular weight of Metobromuron?
The molecular weight of Metobromuron is 258.00 g/mol.
Where can I buy Metobromuron?
You can request a quote for Metobromuron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Metobromuron?
Yes, KEHONG BIO provides custom synthesis services for Metobromuron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.