![4-{[2-(Dimethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile structure](/static/products/3387/338792-52-2.webp)
4-{[2-(Dimethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile
TL;DR: 4-{[2-(Dimethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile (CAS 338792-52-2) is a chemical compound with molecular formula C14H11F3N4O and molecular weight 308.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
Also Known As: 6G-429S, 4-{[2-(dimethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile, 4-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile, 4-{[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxy}benzonitrile, 4-[2-dimethylamino-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
| Molecular Formula | C14H11F3N4O |
|---|---|
| Molecular Weight | 308.09 g/mol |
| LogP | 3.22538 |
| Topological Polar Surface Area | 62.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.0885 |
| Heavy Atoms | 22 |
| Complexity | 705.50836 |
Chemical Identifiers
| CAS Number | 338792-52-2 |
|---|---|
| SMILES | CN(C)C1=NC(=CC(=N1)OC2=CC=C(C=C2)C#N)C(F)(F)F |
Product Overview
4-{[2-(Dimethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile (CAS 338792-52-2), with molecular formula C14H11F3N4O and molecular weight 308.09 g/mol. IUPAC: 4-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile.
Chemical Property Profile of 4-{[2-(Dimethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile
Property Insights of 4-{[2-(Dimethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile
The XLogP value of 3.22538 indicates that 4-{[2-(Dimethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[2-(Dimethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile. Following Lipinski's Rule of Five, 4-{[2-(Dimethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile has 0 hydrogen bond donor(s) and 5 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 4-{[2-(Dimethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile?
The CAS number of 4-{[2-(Dimethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile is 338792-52-2.
What is the molecular formula of 4-{[2-(Dimethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile?
The molecular formula of 4-{[2-(Dimethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile is C14H11F3N4O.
What is the molecular weight of 4-{[2-(Dimethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile?
The molecular weight of 4-{[2-(Dimethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile is 308.09 g/mol.
Where can I buy 4-{[2-(Dimethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile?
You can request a quote for 4-{[2-(Dimethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[2-(Dimethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-{[2-(Dimethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.