溴螨酯
TL;DR: 溴螨酯 (CAS 18181-80-1) is a chemical compound with molecular formula C17H16Br2O3 and molecular weight 425.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴螨酯
propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate
Also Known As: Bromopropylate, Phenisobromolate, ACAROL, Neoron, Folbex VA
| Molecular Formula | C17H16Br2O3 |
|---|---|
| Molecular Weight | 425.95 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.94458 |
| Heavy Atoms | 22 |
| Complexity | 348.0 |
| Melting Point | 77 °C |
| Density | 1.49 g/cu cm at 20 °C |
| Solubility | Solubility in acetone 850, dichloromethane 970, dioxane 870, benzene 750, methanol 280, xylene 730, isopropanol 90 (all in g/kg, 20 °C) |
| Vapor Pressure | 0.00000005 [mmHg] |
Chemical Identifiers
| CAS Number | 18181-80-1 |
|---|---|
| SMILES | CC(C)OC(=O)C(C1=CC=C(C=C1)Br)(C2=CC=C(C=C2)Br)O |
| InChIKey | FOANIXZHAMJWOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴螨酯 (CAS 18181-80-1), with molecular formula C17H16Br2O3 and molecular weight 425.95 g/mol. IUPAC: propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate.
Chemical Property Profile of 溴螨酯
Property Insights of 溴螨酯
The XLogP value of 4.8 indicates that 溴螨酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 溴螨酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴螨酯 has 1 hydrogen bond donor(s) and 3 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 溴螨酯?
The CAS number of 溴螨酯 is 18181-80-1.
What is the molecular formula of 溴螨酯?
The molecular formula of 溴螨酯 is C17H16Br2O3.
What is the molecular weight of 溴螨酯?
The molecular weight of 溴螨酯 is 425.95 g/mol.
Where can I buy 溴螨酯?
You can request a quote for 溴螨酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴螨酯?
Yes, KEHONG BIO provides custom synthesis services for 溴螨酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.