1-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
TL;DR: 1-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile (CAS 51418-88-3) is a chemical compound with molecular formula C15H22N2O2 and molecular weight 262.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
Also Known As: starbld0019121, EINECS 257-190-5, 1-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile, 1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile, 1-(2-ethylhexyl)-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C15H22N2O2 |
|---|---|
| Molecular Weight | 262.17 g/mol |
| LogP | 2.9504 |
| Topological Polar Surface Area | 66.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 262.16812 |
| Heavy Atoms | 19 |
| Complexity | 526.1727 |
Chemical Identifiers
| CAS Number | 51418-88-3 |
|---|---|
| SMILES | CCCCC(CC)CN1C(=O)C=C(C(=C1O)C#N)C |
Product Overview
1-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile (CAS 51418-88-3), with molecular formula C15H22N2O2 and molecular weight 262.17 g/mol. IUPAC: 1-(2-ethylhexyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile.
Chemical Property Profile of 1-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
Property Insights of 1-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
The XLogP value of 2.9504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile. The TPSA of 66.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile. Following Lipinski's Rule of Five, 1-(2-Ethylhexyl)-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-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile?
The CAS number of 1-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile is 51418-88-3.
What is the molecular formula of 1-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile?
The molecular formula of 1-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile is C15H22N2O2.
What is the molecular weight of 1-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile?
The molecular weight of 1-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile is 262.17 g/mol.
Where can I buy 1-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile?
You can request a quote for 1-(2-Ethylhexyl)-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-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.