Chlorbromuron
TL;DR: Chlorbromuron (CAS 13360-45-7) is a chemical compound with molecular formula C9H10BrClN2O2 and molecular weight 291.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea
Also Known As: CHLORBROMURON, Chlorobromuron, Chlorobromouron, Maloran, Bromex
| Molecular Formula | C9H10BrClN2O2 |
|---|---|
| Molecular Weight | 291.96 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.96143 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
| Melting Point | 95-97 °C |
| Density | 1.68 g/cu cm at 20 °C |
| Solubility | SOL IN ACETONE & DIMETHYLFORMAMIDE |
| Vapor Pressure | 0.0000004 [mmHg] |
Chemical Identifiers
| CAS Number | 13360-45-7 |
|---|---|
| SMILES | CN(C(=O)NC1=CC(=C(C=C1)Br)Cl)OC |
| InChIKey | NLYNUTMZTCLNOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorbromuron (CAS 13360-45-7), with molecular formula C9H10BrClN2O2 and molecular weight 291.96 g/mol. IUPAC: 3-(4-bromo-3-chlorophenyl)-1-methoxy-1-methylurea.
Chemical Property Profile of Chlorbromuron
Property Insights of Chlorbromuron
The XLogP value of 3.1 indicates that Chlorbromuron is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, Chlorbromuron exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorbromuron 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 Chlorbromuron?
The CAS number of Chlorbromuron is 13360-45-7.
What is the molecular formula of Chlorbromuron?
The molecular formula of Chlorbromuron is C9H10BrClN2O2.
What is the molecular weight of Chlorbromuron?
The molecular weight of Chlorbromuron is 291.96 g/mol.
Where can I buy Chlorbromuron?
You can request a quote for Chlorbromuron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorbromuron?
Yes, KEHONG BIO provides custom synthesis services for Chlorbromuron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.