(6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-nitrobenzoate
TL;DR: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-nitrobenzoate (CAS 868679-90-7) is a chemical compound with molecular formula C13H9N3O7 and molecular weight 319.04 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) 3-nitrobenzoate
Also Known As: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-nitrobenzoate, AB00676246-01, 6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 3-nitrobenzoate, F1826-0069
| Molecular Formula | C13H9N3O7 |
|---|---|
| Molecular Weight | 319.04 g/mol |
| LogP | 1.71892 |
| Topological Polar Surface Area | 145.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.04404 |
| Heavy Atoms | 23 |
| Complexity | 872.1121 |
Chemical Identifiers
| CAS Number | 868679-90-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
(6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-nitrobenzoate (CAS 868679-90-7), with molecular formula C13H9N3O7 and molecular weight 319.04 g/mol. IUPAC: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-nitrobenzoate.
Chemical Property Profile of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-nitrobenzoate
Property Insights of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-nitrobenzoate
The XLogP value of 1.71892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-nitrobenzoate. The TPSA of 145.44 Ų indicates high polarity, suggesting (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-nitrobenzoate has 1 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 (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-nitrobenzoate?
The CAS number of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-nitrobenzoate is 868679-90-7.
What is the molecular formula of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-nitrobenzoate?
The molecular formula of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-nitrobenzoate is C13H9N3O7.
What is the molecular weight of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-nitrobenzoate?
The molecular weight of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-nitrobenzoate is 319.04 g/mol.
Where can I buy (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-nitrobenzoate?
You can request a quote for (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-nitrobenzoate 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-1H-pyridin-4-yl) 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.