2-(4-Tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile
TL;DR: 2-(4-Tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile (CAS 341967-06-4) is a chemical compound with molecular formula C18H21N3O and molecular weight 295.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile
Also Known As: 2-(4-tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile, 2-[4-(tert-butyl)phenoxy]-4-(dimethylamino)nicotinonitrile
| Molecular Formula | C18H21N3O |
|---|---|
| Molecular Weight | 295.17 g/mol |
| LogP | 4.10908 |
| Topological Polar Surface Area | 49.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.16846 |
| Heavy Atoms | 22 |
| Complexity | 691.7527 |
Chemical Identifiers
| CAS Number | 341967-06-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC2=NC=CC(=C2C#N)N(C)C |
Product Overview
2-(4-Tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile (CAS 341967-06-4), with molecular formula C18H21N3O and molecular weight 295.17 g/mol. IUPAC: 2-(4-tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile.
Chemical Property Profile of 2-(4-Tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile
Property Insights of 2-(4-Tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile
The XLogP value of 4.10908 indicates that 2-(4-Tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.15 Ų, 2-(4-Tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile has 0 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-(4-Tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile?
The CAS number of 2-(4-Tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile is 341967-06-4.
What is the molecular formula of 2-(4-Tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile?
The molecular formula of 2-(4-Tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile is C18H21N3O.
What is the molecular weight of 2-(4-Tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile?
The molecular weight of 2-(4-Tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile is 295.17 g/mol.
Where can I buy 2-(4-Tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile?
You can request a quote for 2-(4-Tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Tert-butylphenoxy)-4-(dimethylamino)pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.