4-(2-Hydroxy-3,4-dimethoxyphenyl)-5,6-dimethylnicotinonitrile
TL;DR: 4-(2-Hydroxy-3,4-dimethoxyphenyl)-5,6-dimethylnicotinonitrile (CAS 61948-31-0) is a chemical compound with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxy-3,4-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
Also Known As: 4-(2-Hydroxy-3,4-dimethoxyphenyl)-5,6-dimethylnicotinonitrile, (4Z)-4-(4,5-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-5,6, (4Z)-4-(4,5-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-5,6-dimethyl-1H-pyridine-3-carbonitrile, 4-(2-hydroxy-3,4-dimethoxy-phenyl)-5,6-dimethyl-pyridine-3-carbonitrile, 4-(2-HYDROXY-3,4-DIMETHOXYPHENYL)-5,6-DIMETHYLPYRIDINE-3-CARBONITRILE
| Molecular Formula | C16H16N2O3 |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.1161 |
| Heavy Atoms | 21 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 61948-31-0 |
|---|---|
| SMILES | CC1=C(C(=CN=C1C)C#N)C2=C(C(=C(C=C2)OC)OC)O |
| InChIKey | UWJSITSXVNDELZ-UHFFFAOYSA-N |
Product Overview
4-(2-Hydroxy-3,4-dimethoxyphenyl)-5,6-dimethylnicotinonitrile (CAS 61948-31-0), with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol. IUPAC: 4-(2-hydroxy-3,4-dimethoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 4-(2-Hydroxy-3,4-dimethoxyphenyl)-5,6-dimethylnicotinonitrile
Property Insights of 4-(2-Hydroxy-3,4-dimethoxyphenyl)-5,6-dimethylnicotinonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Hydroxy-3,4-dimethoxyphenyl)-5,6-dimethylnicotinonitrile. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Hydroxy-3,4-dimethoxyphenyl)-5,6-dimethylnicotinonitrile. Following Lipinski's Rule of Five, 4-(2-Hydroxy-3,4-dimethoxyphenyl)-5,6-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 4-(2-Hydroxy-3,4-dimethoxyphenyl)-5,6-dimethylnicotinonitrile?
The CAS number of 4-(2-Hydroxy-3,4-dimethoxyphenyl)-5,6-dimethylnicotinonitrile is 61948-31-0.
What is the molecular formula of 4-(2-Hydroxy-3,4-dimethoxyphenyl)-5,6-dimethylnicotinonitrile?
The molecular formula of 4-(2-Hydroxy-3,4-dimethoxyphenyl)-5,6-dimethylnicotinonitrile is C16H16N2O3.
What is the molecular weight of 4-(2-Hydroxy-3,4-dimethoxyphenyl)-5,6-dimethylnicotinonitrile?
The molecular weight of 4-(2-Hydroxy-3,4-dimethoxyphenyl)-5,6-dimethylnicotinonitrile is 284.12 g/mol.
Where can I buy 4-(2-Hydroxy-3,4-dimethoxyphenyl)-5,6-dimethylnicotinonitrile?
You can request a quote for 4-(2-Hydroxy-3,4-dimethoxyphenyl)-5,6-dimethylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Hydroxy-3,4-dimethoxyphenyl)-5,6-dimethylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Hydroxy-3,4-dimethoxyphenyl)-5,6-dimethylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.