Bromethrin
TL;DR: Bromethrin (CAS 5423-70-1) is a chemical compound with molecular formula C20H20Br2O3 and molecular weight 465.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-benzylfuran-3-yl)methyl 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: Bromethrin, BROMETHRIN [ISO], (5-benzylfuran-3-yl)methyl 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate, (5-benzylfuran-3-yl)methyl 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate, (5-Benzyl-3-furyl)methyl-2(2,2-dibromovinyl)-3,3-dimethylcyclopropanecarboxylate
| Molecular Formula | C20H20Br2O3 |
|---|---|
| Molecular Weight | 465.98 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.9779 |
| Heavy Atoms | 25 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 5423-70-1 |
|---|---|
| SMILES | CC1(C(C1C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C=C(Br)Br)C |
| InChIKey | AEMCQEISPZGGFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromethrin (CAS 5423-70-1), with molecular formula C20H20Br2O3 and molecular weight 465.98 g/mol. IUPAC: (5-benzylfuran-3-yl)methyl 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of Bromethrin
Property Insights of Bromethrin
The XLogP value of 6.5 indicates that Bromethrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, Bromethrin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromethrin has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bromethrin?
The CAS number of Bromethrin is 5423-70-1.
What is the molecular formula of Bromethrin?
The molecular formula of Bromethrin is C20H20Br2O3.
What is the molecular weight of Bromethrin?
The molecular weight of Bromethrin is 465.98 g/mol.
Where can I buy Bromethrin?
You can request a quote for Bromethrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromethrin?
Yes, KEHONG BIO provides custom synthesis services for Bromethrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.