6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-ethylbutanoate
TL;DR: 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-ethylbutanoate (CAS 868679-37-2) is a chemical compound with molecular formula C12H16N2O5 and molecular weight 268.11 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-ethylbutanoate
Also Known As: 6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-ethylbutanoate, (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 2-ethylbutanoate, AB00676205-01, F1826-0009
| Molecular Formula | C12H16N2O5 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 1.93312 |
| Topological Polar Surface Area | 102.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.10593 |
| Heavy Atoms | 19 |
| Complexity | 545.541 |
Chemical Identifiers
| CAS Number | 868679-37-2 |
|---|---|
| SMILES | CCC(CC)C(=O)OC1=C(C(=O)NC(=C1)C)[N+](=O)[O-] |
Product Overview
6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-ethylbutanoate (CAS 868679-37-2), with molecular formula C12H16N2O5 and molecular weight 268.11 g/mol. IUPAC: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 2-ethylbutanoate.
Chemical Property Profile of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-ethylbutanoate
Property Insights of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-ethylbutanoate
The XLogP value of 1.93312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-ethylbutanoate. 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 2-ethylbutanoate. Following Lipinski's Rule of Five, 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-ethylbutanoate 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 2-ethylbutanoate?
The CAS number of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-ethylbutanoate is 868679-37-2.
What is the molecular formula of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-ethylbutanoate?
The molecular formula of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-ethylbutanoate is C12H16N2O5.
What is the molecular weight of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-ethylbutanoate?
The molecular weight of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-ethylbutanoate is 268.11 g/mol.
Where can I buy 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-ethylbutanoate?
You can request a quote for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-ethylbutanoate 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 2-ethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-ethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.