![2-[3,5-Bis(trifluoromethyl)anilino]-4-(dimethylamino)nicotinonitrile structure](/static/products/3387/338773-84-5.webp)
2-[3,5-Bis(trifluoromethyl)anilino]-4-(dimethylamino)nicotinonitrile
TL;DR: 2-[3,5-Bis(trifluoromethyl)anilino]-4-(dimethylamino)nicotinonitrile (CAS 338773-84-5) is a chemical compound with molecular formula C16H12F6N4 and molecular weight 374.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,5-bis(trifluoromethyl)anilino]-4-(dimethylamino)pyridine-3-carbonitrile
Also Known As: 2-[3,5-bis(trifluoromethyl)anilino]-4-(dimethylamino)nicotinonitrile, 2K-094, 2-{[3,5-bis(trifluoromethyl)phenyl]amino}-4-(dimethylamino)pyridine-3-carbonitrile, 2-[3,5-bis(trifluoromethyl)anilino]-4-(dimethylamino)pyridine-3-carbonitrile, 2-3,5-Bis(trifluoromethyl)anilino-4-(dimethylamino)nicotinonitrile
| Molecular Formula | C16H12F6N4 |
|---|---|
| Molecular Weight | 374.10 g/mol |
| LogP | 4.80048 |
| Topological Polar Surface Area | 51.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.09662 |
| Heavy Atoms | 26 |
| Complexity | 817.0343 |
Chemical Identifiers
| CAS Number | 338773-84-5 |
|---|---|
| SMILES | CN(C)C1=C(C(=NC=C1)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C#N |
Product Overview
2-[3,5-Bis(trifluoromethyl)anilino]-4-(dimethylamino)nicotinonitrile (CAS 338773-84-5), with molecular formula C16H12F6N4 and molecular weight 374.10 g/mol. IUPAC: 2-[3,5-bis(trifluoromethyl)anilino]-4-(dimethylamino)pyridine-3-carbonitrile.
Chemical Property Profile of 2-[3,5-Bis(trifluoromethyl)anilino]-4-(dimethylamino)nicotinonitrile
Property Insights of 2-[3,5-Bis(trifluoromethyl)anilino]-4-(dimethylamino)nicotinonitrile
The XLogP value of 4.80048 indicates that 2-[3,5-Bis(trifluoromethyl)anilino]-4-(dimethylamino)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.95 Ų, 2-[3,5-Bis(trifluoromethyl)anilino]-4-(dimethylamino)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3,5-Bis(trifluoromethyl)anilino]-4-(dimethylamino)nicotinonitrile has 1 hydrogen bond donor(s) and 4 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-[3,5-Bis(trifluoromethyl)anilino]-4-(dimethylamino)nicotinonitrile?
The CAS number of 2-[3,5-Bis(trifluoromethyl)anilino]-4-(dimethylamino)nicotinonitrile is 338773-84-5.
What is the molecular formula of 2-[3,5-Bis(trifluoromethyl)anilino]-4-(dimethylamino)nicotinonitrile?
The molecular formula of 2-[3,5-Bis(trifluoromethyl)anilino]-4-(dimethylamino)nicotinonitrile is C16H12F6N4.
What is the molecular weight of 2-[3,5-Bis(trifluoromethyl)anilino]-4-(dimethylamino)nicotinonitrile?
The molecular weight of 2-[3,5-Bis(trifluoromethyl)anilino]-4-(dimethylamino)nicotinonitrile is 374.10 g/mol.
Where can I buy 2-[3,5-Bis(trifluoromethyl)anilino]-4-(dimethylamino)nicotinonitrile?
You can request a quote for 2-[3,5-Bis(trifluoromethyl)anilino]-4-(dimethylamino)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3,5-Bis(trifluoromethyl)anilino]-4-(dimethylamino)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3,5-Bis(trifluoromethyl)anilino]-4-(dimethylamino)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.