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2-[(2,4-Dimethoxyphenyl)amino]-4,6-dimethylnicotinonitrile
TL;DR: 2-[(2,4-Dimethoxyphenyl)amino]-4,6-dimethylnicotinonitrile (CAS 636997-40-5) is a chemical compound with molecular formula C16H17N3O2 and molecular weight 283.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dimethoxyanilino)-4,6-dimethylpyridine-3-carbonitrile
Also Known As: BAS 04795742, 2-(2,4-Dimethoxy-phenylamino)-4,6-dimethyl-nicotinonitrile, 2-[(2,4-DIMETHOXYPHENYL)AMINO]-4,6-DIMETHYLNICOTINONITRILE, 2-(2,4-dimethoxyanilino)-4,6-dimethylpyridine-3-carbonitrile, 2-((2,4-Dimethoxyphenyl)amino)-4,6-dimethylnicotinonitrile
| Molecular Formula | C16H17N3O2 |
|---|---|
| Molecular Weight | 283.13 g/mol |
| LogP | 3.33092 |
| Topological Polar Surface Area | 67.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.13208 |
| Heavy Atoms | 21 |
| Complexity | 705.39874 |
Chemical Identifiers
| CAS Number | 636997-40-5 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)NC2=C(C=C(C=C2)OC)OC)C |
Product Overview
2-[(2,4-Dimethoxyphenyl)amino]-4,6-dimethylnicotinonitrile (CAS 636997-40-5), with molecular formula C16H17N3O2 and molecular weight 283.13 g/mol. IUPAC: 2-(2,4-dimethoxyanilino)-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 2-[(2,4-Dimethoxyphenyl)amino]-4,6-dimethylnicotinonitrile
Property Insights of 2-[(2,4-Dimethoxyphenyl)amino]-4,6-dimethylnicotinonitrile
The XLogP value of 3.33092 indicates that 2-[(2,4-Dimethoxyphenyl)amino]-4,6-dimethylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,4-Dimethoxyphenyl)amino]-4,6-dimethylnicotinonitrile. Following Lipinski's Rule of Five, 2-[(2,4-Dimethoxyphenyl)amino]-4,6-dimethylnicotinonitrile 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 2-[(2,4-Dimethoxyphenyl)amino]-4,6-dimethylnicotinonitrile?
The CAS number of 2-[(2,4-Dimethoxyphenyl)amino]-4,6-dimethylnicotinonitrile is 636997-40-5.
What is the molecular formula of 2-[(2,4-Dimethoxyphenyl)amino]-4,6-dimethylnicotinonitrile?
The molecular formula of 2-[(2,4-Dimethoxyphenyl)amino]-4,6-dimethylnicotinonitrile is C16H17N3O2.
What is the molecular weight of 2-[(2,4-Dimethoxyphenyl)amino]-4,6-dimethylnicotinonitrile?
The molecular weight of 2-[(2,4-Dimethoxyphenyl)amino]-4,6-dimethylnicotinonitrile is 283.13 g/mol.
Where can I buy 2-[(2,4-Dimethoxyphenyl)amino]-4,6-dimethylnicotinonitrile?
You can request a quote for 2-[(2,4-Dimethoxyphenyl)amino]-4,6-dimethylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,4-Dimethoxyphenyl)amino]-4,6-dimethylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,4-Dimethoxyphenyl)amino]-4,6-dimethylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.