![4,6-Dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile structure](/static/products/285/285986-86-9.png)
4,6-Dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile
TL;DR: 4,6-Dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile (CAS 285986-86-9) is a chemical compound with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile
Also Known As: BAS 01940665, 4,6-dimethyl-2-((2-(4-nitrophenyl)-2-oxoethyl)thio)nicotinonitrile, 4,6-dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile, 4,6-Dimethyl-2-[2-(4-nitro-phenyl)-2-oxo-ethylsulfanyl]-nicotinonitrile, 4,6-dimethyl-2-[2-(4-nitrophenyl)-2-oxoethylthio]pyridine-3-carbonitrile
| Molecular Formula | C16H13N3O3S |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.06775 |
| Heavy Atoms | 23 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 285986-86-9 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C |
| InChIKey | JOKWNXADABKPAG-UHFFFAOYSA-N |
Product Overview
4,6-Dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile (CAS 285986-86-9), with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol. IUPAC: 4,6-dimethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 4,6-Dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile
Property Insights of 4,6-Dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile
The XLogP value of 3.4 indicates that 4,6-Dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 4,6-Dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 6 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 4,6-Dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile?
The CAS number of 4,6-Dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile is 285986-86-9.
What is the molecular formula of 4,6-Dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile?
The molecular formula of 4,6-Dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile is C16H13N3O3S.
What is the molecular weight of 4,6-Dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile?
The molecular weight of 4,6-Dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile is 327.07 g/mol.
Where can I buy 4,6-Dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile?
You can request a quote for 4,6-Dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.