4-(Methoxymethyl)-6-methyl-2-((5-nitropyridin-2-yl)thio)nicotinonitrile
TL;DR: 4-(Methoxymethyl)-6-methyl-2-((5-nitropyridin-2-yl)thio)nicotinonitrile (CAS 878719-56-3) is a chemical compound with molecular formula C14H12N4O3S and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methoxymethyl)-6-methyl-2-[(5-nitro-2-pyridinyl)sulfanyl]pyridine-3-carbonitrile
Also Known As: ASN 12743615, 4-(methoxymethyl)-6-methyl-2-((5-nitropyridin-2-yl)thio)nicotinonitrile, 4-Methoxymethyl-6-methyl-2-(5-nitro-pyridin-2-ylsulfanyl)-nicotinonitrile, 4-(methoxymethyl)-6-methyl-2-(5-nitropyridin-2-yl)sulfanylpyridine-3-carbonitrile, 4-(methoxymethyl)-6-methyl-2-[(5-nitropyridin-2-yl)sulfanyl]pyridine-3-carbonitrile
| Molecular Formula | C14H12N4O3S |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 2.8625 |
| Topological Polar Surface Area | 101.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.06302 |
| Heavy Atoms | 22 |
| Complexity | 740.9885 |
Chemical Identifiers
| CAS Number | 878719-56-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)SC2=NC=C(C=C2)[N+](=O)[O-])C#N)COC |
Product Overview
4-(Methoxymethyl)-6-methyl-2-((5-nitropyridin-2-yl)thio)nicotinonitrile (CAS 878719-56-3), with molecular formula C14H12N4O3S and molecular weight 316.06 g/mol. IUPAC: 4-(methoxymethyl)-6-methyl-2-[(5-nitro-2-pyridinyl)sulfanyl]pyridine-3-carbonitrile.
Chemical Property Profile of 4-(Methoxymethyl)-6-methyl-2-((5-nitropyridin-2-yl)thio)nicotinonitrile
Property Insights of 4-(Methoxymethyl)-6-methyl-2-((5-nitropyridin-2-yl)thio)nicotinonitrile
The XLogP value of 2.8625 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methoxymethyl)-6-methyl-2-((5-nitropyridin-2-yl)thio)nicotinonitrile. The TPSA of 101.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methoxymethyl)-6-methyl-2-((5-nitropyridin-2-yl)thio)nicotinonitrile. Following Lipinski's Rule of Five, 4-(Methoxymethyl)-6-methyl-2-((5-nitropyridin-2-yl)thio)nicotinonitrile has 0 hydrogen bond donor(s) and 7 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-(Methoxymethyl)-6-methyl-2-((5-nitropyridin-2-yl)thio)nicotinonitrile?
The CAS number of 4-(Methoxymethyl)-6-methyl-2-((5-nitropyridin-2-yl)thio)nicotinonitrile is 878719-56-3.
What is the molecular formula of 4-(Methoxymethyl)-6-methyl-2-((5-nitropyridin-2-yl)thio)nicotinonitrile?
The molecular formula of 4-(Methoxymethyl)-6-methyl-2-((5-nitropyridin-2-yl)thio)nicotinonitrile is C14H12N4O3S.
What is the molecular weight of 4-(Methoxymethyl)-6-methyl-2-((5-nitropyridin-2-yl)thio)nicotinonitrile?
The molecular weight of 4-(Methoxymethyl)-6-methyl-2-((5-nitropyridin-2-yl)thio)nicotinonitrile is 316.06 g/mol.
Where can I buy 4-(Methoxymethyl)-6-methyl-2-((5-nitropyridin-2-yl)thio)nicotinonitrile?
You can request a quote for 4-(Methoxymethyl)-6-methyl-2-((5-nitropyridin-2-yl)thio)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methoxymethyl)-6-methyl-2-((5-nitropyridin-2-yl)thio)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methoxymethyl)-6-methyl-2-((5-nitropyridin-2-yl)thio)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.