2-Hydroxy-4,6-dimethyl-5-(3-methylbenzyl)nicotinonitrile
TL;DR: 2-Hydroxy-4,6-dimethyl-5-(3-methylbenzyl)nicotinonitrile (CAS 897764-23-7) is a chemical compound with molecular formula C16H16N2O and molecular weight 252.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-5-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile
Also Known As: ChemDiv2_008367, 2-hydroxy-4,6-dimethyl-5-(3-methylbenzyl)nicotinonitrile, 4,6-dimethyl-5-(3-methylbenzyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile, 4,6-dimethyl-5-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile, 4,6-DIMETHYL-5-(3-METHYLBENZYL)-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
| Molecular Formula | C16H16N2O |
|---|---|
| Molecular Weight | 252.13 g/mol |
| LogP | 2.76264 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.12627 |
| Heavy Atoms | 19 |
| Complexity | 720.5044 |
Chemical Identifiers
| CAS Number | 897764-23-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CC2=C(NC(=O)C(=C2C)C#N)C |
Product Overview
2-Hydroxy-4,6-dimethyl-5-(3-methylbenzyl)nicotinonitrile (CAS 897764-23-7), with molecular formula C16H16N2O and molecular weight 252.13 g/mol. IUPAC: 4,6-dimethyl-5-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 2-Hydroxy-4,6-dimethyl-5-(3-methylbenzyl)nicotinonitrile
Property Insights of 2-Hydroxy-4,6-dimethyl-5-(3-methylbenzyl)nicotinonitrile
The XLogP value of 2.76264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-4,6-dimethyl-5-(3-methylbenzyl)nicotinonitrile. With a topological polar surface area (TPSA) of 56.65 Ų, 2-Hydroxy-4,6-dimethyl-5-(3-methylbenzyl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-4,6-dimethyl-5-(3-methylbenzyl)nicotinonitrile has 1 hydrogen bond donor(s) and 2 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-Hydroxy-4,6-dimethyl-5-(3-methylbenzyl)nicotinonitrile?
The CAS number of 2-Hydroxy-4,6-dimethyl-5-(3-methylbenzyl)nicotinonitrile is 897764-23-7.
What is the molecular formula of 2-Hydroxy-4,6-dimethyl-5-(3-methylbenzyl)nicotinonitrile?
The molecular formula of 2-Hydroxy-4,6-dimethyl-5-(3-methylbenzyl)nicotinonitrile is C16H16N2O.
What is the molecular weight of 2-Hydroxy-4,6-dimethyl-5-(3-methylbenzyl)nicotinonitrile?
The molecular weight of 2-Hydroxy-4,6-dimethyl-5-(3-methylbenzyl)nicotinonitrile is 252.13 g/mol.
Where can I buy 2-Hydroxy-4,6-dimethyl-5-(3-methylbenzyl)nicotinonitrile?
You can request a quote for 2-Hydroxy-4,6-dimethyl-5-(3-methylbenzyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-4,6-dimethyl-5-(3-methylbenzyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-4,6-dimethyl-5-(3-methylbenzyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.