4-(Dimethylamino)-2-(4-phenoxyanilino)nicotinonitrile
TL;DR: 4-(Dimethylamino)-2-(4-phenoxyanilino)nicotinonitrile (CAS 338773-81-2) is a chemical compound with molecular formula C20H18N4O and molecular weight 330.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-2-(4-phenoxyanilino)pyridine-3-carbonitrile
Also Known As: 4-(dimethylamino)-2-(4-phenoxyanilino)nicotinonitrile, 4-(dimethylamino)-2-(4-phenoxyanilino)pyridine-3-carbonitrile, 2K-091, 4-(dimethylamino)-2-[(4-phenoxyphenyl)amino]pyridine-3-carbonitrile, 4-dimethylamino-2-[(4-phenoxyphenyl)amino]pyridine-3-carbonitrile
| Molecular Formula | C20H18N4O |
|---|---|
| Molecular Weight | 330.15 g/mol |
| LogP | 4.55518 |
| Topological Polar Surface Area | 61.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.14807 |
| Heavy Atoms | 25 |
| Complexity | 883.81976 |
Chemical Identifiers
| CAS Number | 338773-81-2 |
|---|---|
| SMILES | CN(C)C1=C(C(=NC=C1)NC2=CC=C(C=C2)OC3=CC=CC=C3)C#N |
Product Overview
4-(Dimethylamino)-2-(4-phenoxyanilino)nicotinonitrile (CAS 338773-81-2), with molecular formula C20H18N4O and molecular weight 330.15 g/mol. IUPAC: 4-(dimethylamino)-2-(4-phenoxyanilino)pyridine-3-carbonitrile.
Chemical Property Profile of 4-(Dimethylamino)-2-(4-phenoxyanilino)nicotinonitrile
Property Insights of 4-(Dimethylamino)-2-(4-phenoxyanilino)nicotinonitrile
The XLogP value of 4.55518 indicates that 4-(Dimethylamino)-2-(4-phenoxyanilino)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Dimethylamino)-2-(4-phenoxyanilino)nicotinonitrile. Following Lipinski's Rule of Five, 4-(Dimethylamino)-2-(4-phenoxyanilino)nicotinonitrile has 1 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-(Dimethylamino)-2-(4-phenoxyanilino)nicotinonitrile?
The CAS number of 4-(Dimethylamino)-2-(4-phenoxyanilino)nicotinonitrile is 338773-81-2.
What is the molecular formula of 4-(Dimethylamino)-2-(4-phenoxyanilino)nicotinonitrile?
The molecular formula of 4-(Dimethylamino)-2-(4-phenoxyanilino)nicotinonitrile is C20H18N4O.
What is the molecular weight of 4-(Dimethylamino)-2-(4-phenoxyanilino)nicotinonitrile?
The molecular weight of 4-(Dimethylamino)-2-(4-phenoxyanilino)nicotinonitrile is 330.15 g/mol.
Where can I buy 4-(Dimethylamino)-2-(4-phenoxyanilino)nicotinonitrile?
You can request a quote for 4-(Dimethylamino)-2-(4-phenoxyanilino)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Dimethylamino)-2-(4-phenoxyanilino)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dimethylamino)-2-(4-phenoxyanilino)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.