1-Benzyl-4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile
TL;DR: 1-Benzyl-4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 857495-45-5) is a chemical compound with molecular formula C15H13N3O3 and molecular weight 283.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4,6-dimethyl-5-nitro-2-oxopyridine-3-carbonitrile
Also Known As: 1-benzyl-4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile, 1-benzyl-4,6-dimethyl-5-nitro-2-oxopyridine-3-carbonitrile, 1-benzyl-4,6-dimethyl-5-nitro-2-oxo-pyridine-3-carbonitrile, 3-pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-5-nitro-2-oxo-1-(phenylmethyl)-, 4,6-dimethyl-5-nitro-2-oxo-1-benzylhydropyridine-3-carbonitrile
| Molecular Formula | C15H13N3O3 |
|---|---|
| Molecular Weight | 283.10 g/mol |
| LogP | 2.29332 |
| Topological Polar Surface Area | 88.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0957 |
| Heavy Atoms | 21 |
| Complexity | 801.63916 |
Chemical Identifiers
| CAS Number | 857495-45-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=C1[N+](=O)[O-])C)CC2=CC=CC=C2)C#N |
Product Overview
1-Benzyl-4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 857495-45-5), with molecular formula C15H13N3O3 and molecular weight 283.10 g/mol. IUPAC: 1-benzyl-4,6-dimethyl-5-nitro-2-oxopyridine-3-carbonitrile.
Chemical Property Profile of 1-Benzyl-4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile
Property Insights of 1-Benzyl-4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 2.29332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile. The TPSA of 88.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, 1-Benzyl-4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 4 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-Benzyl-4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The CAS number of 1-Benzyl-4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile is 857495-45-5.
What is the molecular formula of 1-Benzyl-4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of 1-Benzyl-4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile is C15H13N3O3.
What is the molecular weight of 1-Benzyl-4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of 1-Benzyl-4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile is 283.10 g/mol.
Where can I buy 1-Benzyl-4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for 1-Benzyl-4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.