![4-Methoxy-2-{[3-(trifluoromethyl)benzyl]amino}nicotinonitrile structure](/static/products/3391/339102-96-4.webp)
4-Methoxy-2-{[3-(trifluoromethyl)benzyl]amino}nicotinonitrile
TL;DR: 4-Methoxy-2-{[3-(trifluoromethyl)benzyl]amino}nicotinonitrile (CAS 339102-96-4) is a chemical compound with molecular formula C15H12F3N3O and molecular weight 307.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
Also Known As: 4-methoxy-2-{[3-(trifluoromethyl)benzyl]amino}nicotinonitrile, 4-methoxy-2-({[3-(trifluoromethyl)phenyl]methyl}amino)pyridine-3-carbonitrile, 4-methoxy-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
| Molecular Formula | C15H12F3N3O |
|---|---|
| Molecular Weight | 307.09 g/mol |
| LogP | 3.59278 |
| Topological Polar Surface Area | 57.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.09326 |
| Heavy Atoms | 22 |
| Complexity | 707.90936 |
Chemical Identifiers
| CAS Number | 339102-96-4 |
|---|---|
| SMILES | COC1=C(C(=NC=C1)NCC2=CC(=CC=C2)C(F)(F)F)C#N |
Product Overview
4-Methoxy-2-{[3-(trifluoromethyl)benzyl]amino}nicotinonitrile (CAS 339102-96-4), with molecular formula C15H12F3N3O and molecular weight 307.09 g/mol. IUPAC: 4-methoxy-2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile.
Chemical Property Profile of 4-Methoxy-2-{[3-(trifluoromethyl)benzyl]amino}nicotinonitrile
Property Insights of 4-Methoxy-2-{[3-(trifluoromethyl)benzyl]amino}nicotinonitrile
The XLogP value of 3.59278 indicates that 4-Methoxy-2-{[3-(trifluoromethyl)benzyl]amino}nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.94 Ų, 4-Methoxy-2-{[3-(trifluoromethyl)benzyl]amino}nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-2-{[3-(trifluoromethyl)benzyl]amino}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 4-Methoxy-2-{[3-(trifluoromethyl)benzyl]amino}nicotinonitrile?
The CAS number of 4-Methoxy-2-{[3-(trifluoromethyl)benzyl]amino}nicotinonitrile is 339102-96-4.
What is the molecular formula of 4-Methoxy-2-{[3-(trifluoromethyl)benzyl]amino}nicotinonitrile?
The molecular formula of 4-Methoxy-2-{[3-(trifluoromethyl)benzyl]amino}nicotinonitrile is C15H12F3N3O.
What is the molecular weight of 4-Methoxy-2-{[3-(trifluoromethyl)benzyl]amino}nicotinonitrile?
The molecular weight of 4-Methoxy-2-{[3-(trifluoromethyl)benzyl]amino}nicotinonitrile is 307.09 g/mol.
Where can I buy 4-Methoxy-2-{[3-(trifluoromethyl)benzyl]amino}nicotinonitrile?
You can request a quote for 4-Methoxy-2-{[3-(trifluoromethyl)benzyl]amino}nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-2-{[3-(trifluoromethyl)benzyl]amino}nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-2-{[3-(trifluoromethyl)benzyl]amino}nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.