![2-(3-Trifluoromethylphenyl)-[1,3,6,2]dioxazaborocane structure](/static/products/6353/635305-30-5.webp)
2-(3-Trifluoromethylphenyl)-[1,3,6,2]dioxazaborocane
TL;DR: 2-(3-Trifluoromethylphenyl)-[1,3,6,2]dioxazaborocane (CAS 635305-30-5) is a chemical compound with molecular formula C11H13BF3NO2 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(trifluoromethyl)phenyl]-1,3,6,2-dioxazaborocane
Also Known As: 2-(3-trifluoromethylphenyl)-[1,3,6,2]dioxazaborocane, 2-[3-(trifluoromethyl)phenyl]-1,3,6,2-dioxazaborocane
| Molecular Formula | C11H13BF3NO2 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 1.037 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.09915 |
| Heavy Atoms | 18 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 635305-30-5 |
|---|---|
| SMILES | B1(OCCNCCO1)C2=CC(=CC=C2)C(F)(F)F |
| InChIKey | FBVJDJPZBUEKEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Trifluoromethylphenyl)-[1,3,6,2]dioxazaborocane (CAS 635305-30-5), with molecular formula C11H13BF3NO2 and molecular weight 259.10 g/mol. IUPAC: 2-[3-(trifluoromethyl)phenyl]-1,3,6,2-dioxazaborocane.
Chemical Property Profile of 2-(3-Trifluoromethylphenyl)-[1,3,6,2]dioxazaborocane
Property Insights of 2-(3-Trifluoromethylphenyl)-[1,3,6,2]dioxazaborocane
The XLogP value of 1.037 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Trifluoromethylphenyl)-[1,3,6,2]dioxazaborocane. With a topological polar surface area (TPSA) of 30.5 Ų, 2-(3-Trifluoromethylphenyl)-[1,3,6,2]dioxazaborocane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Trifluoromethylphenyl)-[1,3,6,2]dioxazaborocane has 1 hydrogen bond donor(s) and 6 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 2-(3-Trifluoromethylphenyl)-[1,3,6,2]dioxazaborocane?
The CAS number of 2-(3-Trifluoromethylphenyl)-[1,3,6,2]dioxazaborocane is 635305-30-5.
What is the molecular formula of 2-(3-Trifluoromethylphenyl)-[1,3,6,2]dioxazaborocane?
The molecular formula of 2-(3-Trifluoromethylphenyl)-[1,3,6,2]dioxazaborocane is C11H13BF3NO2.
What is the molecular weight of 2-(3-Trifluoromethylphenyl)-[1,3,6,2]dioxazaborocane?
The molecular weight of 2-(3-Trifluoromethylphenyl)-[1,3,6,2]dioxazaborocane is 259.10 g/mol.
Where can I buy 2-(3-Trifluoromethylphenyl)-[1,3,6,2]dioxazaborocane?
You can request a quote for 2-(3-Trifluoromethylphenyl)-[1,3,6,2]dioxazaborocane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Trifluoromethylphenyl)-[1,3,6,2]dioxazaborocane?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Trifluoromethylphenyl)-[1,3,6,2]dioxazaborocane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.