Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl-
TL;DR: Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl- (CAS 64038-03-5) is a chemical compound with molecular formula C9H10N2O and molecular weight 162.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,6-trimethyl-2-oxopyridine-3-carbonitrile
Also Known As: 1,4,6-trimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile, 1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, Maybridge1_002133, 1,4,6-trimethyl-2-oxopyridine-3-carbonitrile, trimethyloxodihydropyridinecarbonitrile
| Molecular Formula | C9H10N2O |
|---|---|
| Molecular Weight | 162.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.07932 |
| Heavy Atoms | 12 |
| Complexity | 341.0 |
| Solubility | >24.3 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 64038-03-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1C)C#N)C |
| InChIKey | YHNFRZWVZUMYEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl- (CAS 64038-03-5), with molecular formula C9H10N2O and molecular weight 162.08 g/mol. IUPAC: 1,4,6-trimethyl-2-oxopyridine-3-carbonitrile.
Chemical Property Profile of Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl-
Property Insights of Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl-. With a topological polar surface area (TPSA) of 44.1 Ų, Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl- has 0 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 Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl-?
The CAS number of Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl- is 64038-03-5.
What is the molecular formula of Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl-?
The molecular formula of Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl- is C9H10N2O.
What is the molecular weight of Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl-?
The molecular weight of Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl- is 162.08 g/mol.
Where can I buy Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl-?
You can request a quote for Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Nicotinonitrile, 1,2-dihydro-2-oxo-1,4,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.