1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
TL;DR: 1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile (CAS 57564-18-8) is a chemical compound with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
Also Known As: 1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile, 3-Cyano-4-Methyl-6-Hydroxy-N-Hexyl Pyridone, 1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile, AS-871/43358538, 1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile
| Molecular Formula | C13H18N2O2 |
|---|---|
| Molecular Weight | 234.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.13683 |
| Heavy Atoms | 17 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 57564-18-8 |
|---|---|
| SMILES | CCCCCCN1C(=O)C=C(C(=C1O)C#N)C |
| InChIKey | QOXKXTPIAKYMKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile (CAS 57564-18-8), with molecular formula C13H18N2O2 and molecular weight 234.14 g/mol. IUPAC: 1-hexyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.
Chemical Property Profile of 1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
Property Insights of 1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile. Following Lipinski's Rule of Five, 1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile has 1 hydrogen bond donor(s) and 3 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 1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile?
The CAS number of 1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile is 57564-18-8.
What is the molecular formula of 1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile?
The molecular formula of 1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile is C13H18N2O2.
What is the molecular weight of 1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile?
The molecular weight of 1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile is 234.14 g/mol.
Where can I buy 1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile?
You can request a quote for 1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.