6-tert-Butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane
TL;DR: 6-tert-Butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane (CAS 100991-78-4) is a chemical compound with molecular formula C11H17BF6O3 and molecular weight 322.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane
Also Known As: 6-tert-butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane, 1,3,2-Dioxaborinane, 6-tert-butyl-2-methoxy-4,4-bis(trifluoromethyl)-, 6-tert-Butyl-2-methoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane, BORIC ACID, CYCLIC 1-tert-BUTYL-3,3-BIS(TRIFLUOROMETHYL)TRIMETHYLENE ETHYL ESTER, 6-tert-butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxabo
| Molecular Formula | C11H17BF6O3 |
|---|---|
| Molecular Weight | 322.12 g/mol |
| LogP | 3.72 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.1175 |
| Heavy Atoms | 21 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 100991-78-4 |
|---|---|
| SMILES | B1(OC(CC(O1)(C(F)(F)F)C(F)(F)F)C(C)(C)C)OCC |
| InChIKey | WQBJAVALEDDXNF-UHFFFAOYSA-N |
Product Overview
6-tert-Butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane (CAS 100991-78-4), with molecular formula C11H17BF6O3 and molecular weight 322.12 g/mol. IUPAC: 6-tert-butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane.
Chemical Property Profile of 6-tert-Butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane
Property Insights of 6-tert-Butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane
The XLogP value of 3.72 indicates that 6-tert-Butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 6-tert-Butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-tert-Butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane has 0 hydrogen bond donor(s) and 9 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 6-tert-Butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane?
The CAS number of 6-tert-Butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane is 100991-78-4.
What is the molecular formula of 6-tert-Butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane?
The molecular formula of 6-tert-Butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane is C11H17BF6O3.
What is the molecular weight of 6-tert-Butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane?
The molecular weight of 6-tert-Butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane is 322.12 g/mol.
Where can I buy 6-tert-Butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane?
You can request a quote for 6-tert-Butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-Butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-Butyl-2-ethoxy-4,4-bis(trifluoromethyl)-1,3,2-dioxaborinane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.