4-(Methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile
TL;DR: 4-(Methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile (CAS 5457-22-7) is a chemical compound with molecular formula C11H13N3O4 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methoxymethyl)-5-nitro-2-oxo-6-propyl-1H-pyridine-3-carbonitrile
Also Known As: (+-)-4-hydroxy-3-oxo-valeric acid-lactone, 4-(methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile, 4-5-nitro-2-oxo-6-propyl-1h-pyridine-3-carbonitrile, 4- -5-nitro-2-oxo-6-propyl-1H-pyridine-3-carbonitrile, 4-(methoxymethyl)-5-nitro-2-oxo-6-propyl-1H-pyridine-3-carbonitrile
| Molecular Formula | C11H13N3O4 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.0906 |
| Heavy Atoms | 18 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 5457-22-7 |
|---|---|
| SMILES | CCCC1=C(C(=C(C(=O)N1)C#N)COC)[N+](=O)[O-] |
| InChIKey | VPZYNYOZFHGPMR-UHFFFAOYSA-N |
Product Overview
4-(Methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile (CAS 5457-22-7), with molecular formula C11H13N3O4 and molecular weight 251.09 g/mol. IUPAC: 4-(methoxymethyl)-5-nitro-2-oxo-6-propyl-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 4-(Methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile
Property Insights of 4-(Methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, 4-(Methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 5 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)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile?
The CAS number of 4-(Methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile is 5457-22-7.
What is the molecular formula of 4-(Methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of 4-(Methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile is C11H13N3O4.
What is the molecular weight of 4-(Methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of 4-(Methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile is 251.09 g/mol.
Where can I buy 4-(Methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for 4-(Methoxymethyl)-5-nitro-2-oxo-6-propyl-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 4-(Methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.