2-(2,3-Dimethylphenoxy)-5-(trifluoromethyl)benzonitrile
TL;DR: 2-(2,3-Dimethylphenoxy)-5-(trifluoromethyl)benzonitrile (CAS 477867-13-3) is a chemical compound with molecular formula C16H12F3NO and molecular weight 291.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3-dimethylphenoxy)-5-(trifluoromethyl)benzonitrile
Also Known As: 2-(2,3-dimethylphenoxy)-5-(trifluoromethyl)benzonitrile, 1L-582S, 2-(2,3-dimethylphenoxy)-5-(trifluoromethyl)benzenecarbonitrile
| Molecular Formula | C16H12F3NO |
|---|---|
| Molecular Weight | 291.09 g/mol |
| LogP | 4.98622 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.0871 |
| Heavy Atoms | 21 |
| Complexity | 714.4376 |
Chemical Identifiers
| CAS Number | 477867-13-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)OC2=C(C=C(C=C2)C(F)(F)F)C#N)C |
Product Overview
2-(2,3-Dimethylphenoxy)-5-(trifluoromethyl)benzonitrile (CAS 477867-13-3), with molecular formula C16H12F3NO and molecular weight 291.09 g/mol. IUPAC: 2-(2,3-dimethylphenoxy)-5-(trifluoromethyl)benzonitrile.
Chemical Property Profile of 2-(2,3-Dimethylphenoxy)-5-(trifluoromethyl)benzonitrile
Property Insights of 2-(2,3-Dimethylphenoxy)-5-(trifluoromethyl)benzonitrile
The XLogP value of 4.98622 indicates that 2-(2,3-Dimethylphenoxy)-5-(trifluoromethyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.02 Ų, 2-(2,3-Dimethylphenoxy)-5-(trifluoromethyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,3-Dimethylphenoxy)-5-(trifluoromethyl)benzonitrile has 0 hydrogen bond donor(s) and 2 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-(2,3-Dimethylphenoxy)-5-(trifluoromethyl)benzonitrile?
The CAS number of 2-(2,3-Dimethylphenoxy)-5-(trifluoromethyl)benzonitrile is 477867-13-3.
What is the molecular formula of 2-(2,3-Dimethylphenoxy)-5-(trifluoromethyl)benzonitrile?
The molecular formula of 2-(2,3-Dimethylphenoxy)-5-(trifluoromethyl)benzonitrile is C16H12F3NO.
What is the molecular weight of 2-(2,3-Dimethylphenoxy)-5-(trifluoromethyl)benzonitrile?
The molecular weight of 2-(2,3-Dimethylphenoxy)-5-(trifluoromethyl)benzonitrile is 291.09 g/mol.
Where can I buy 2-(2,3-Dimethylphenoxy)-5-(trifluoromethyl)benzonitrile?
You can request a quote for 2-(2,3-Dimethylphenoxy)-5-(trifluoromethyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,3-Dimethylphenoxy)-5-(trifluoromethyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,3-Dimethylphenoxy)-5-(trifluoromethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.