6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl isobutyrate
TL;DR: 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl isobutyrate (CAS 868679-32-7) is a chemical compound with molecular formula C10H12N2O5 and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 2-methylpropanoate
Also Known As: 6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl isobutyrate, AB00676201-01, (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 2-methylpropanoate, F1826-0004, 6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-methylpropanoate
| Molecular Formula | C10H12N2O5 |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 1.15292 |
| Topological Polar Surface Area | 102.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.07462 |
| Heavy Atoms | 17 |
| Complexity | 517.9178 |
Chemical Identifiers
| CAS Number | 868679-32-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C(C)C |
Product Overview
6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl isobutyrate (CAS 868679-32-7), with molecular formula C10H12N2O5 and molecular weight 240.07 g/mol. IUPAC: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 2-methylpropanoate.
Chemical Property Profile of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl isobutyrate
Property Insights of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl isobutyrate
The XLogP value of 1.15292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl isobutyrate. The TPSA of 102.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl isobutyrate. Following Lipinski's Rule of Five, 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl isobutyrate 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 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl isobutyrate?
The CAS number of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl isobutyrate is 868679-32-7.
What is the molecular formula of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl isobutyrate?
The molecular formula of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl isobutyrate is C10H12N2O5.
What is the molecular weight of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl isobutyrate?
The molecular weight of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl isobutyrate is 240.07 g/mol.
Where can I buy 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl isobutyrate?
You can request a quote for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.