乙螨唑
TL;DR: 乙螨唑 (CAS 153233-91-1) is a chemical compound with molecular formula C21H23F2NO2 and molecular weight 359.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙螨唑
4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
Also Known As: Etoxazole, Baroque, Borneo, TetraSan, Etoxazole [ISO]
| Molecular Formula | C21H23F2NO2 |
|---|---|
| Molecular Weight | 359.17 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 30.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.16968 |
| Heavy Atoms | 26 |
| Complexity | 495.0 |
| Melting Point | 101-102 °C |
| Density | 1.24 g/cu cm at 20 °C |
| Solubility | In water, 3.99X10-2 mg/L at 10 °C; 6.69X10-2 mg/L at 30 °C |
| Vapor Pressure | 0.00000002 [mmHg] |
Chemical Identifiers
| CAS Number | 153233-91-1 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C(C)(C)C)C2COC(=N2)C3=C(C=CC=C3F)F |
| InChIKey | IXSZQYVWNJNRAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙螨唑 (CAS 153233-91-1), with molecular formula C21H23F2NO2 and molecular weight 359.17 g/mol. IUPAC: 4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.
Chemical Property Profile of 乙螨唑
Property Insights of 乙螨唑
The XLogP value of 5.4 indicates that 乙螨唑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.8 Ų, 乙螨唑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙螨唑 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 乙螨唑?
The CAS number of 乙螨唑 is 153233-91-1.
What is the molecular formula of 乙螨唑?
The molecular formula of 乙螨唑 is C21H23F2NO2.
What is the molecular weight of 乙螨唑?
The molecular weight of 乙螨唑 is 359.17 g/mol.
Where can I buy 乙螨唑?
You can request a quote for 乙螨唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙螨唑?
Yes, KEHONG BIO provides custom synthesis services for 乙螨唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.