6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-methyl-3-nitrobenzoate
TL;DR: 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-methyl-3-nitrobenzoate (CAS 868679-92-9) is a chemical compound with molecular formula C14H11N3O7 and molecular weight 333.06 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-methyl-3-nitrobenzoate
Also Known As: AB00676248-01, F1826-0071, 6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-methyl-3-nitrobenzoate, (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 2-methyl-3-nitrobenzoate, 6-methyl-3-nitro-2-oxo-1,2-dihydro-4-pyridyl 6-nitro-2-toluate
| Molecular Formula | C14H11N3O7 |
|---|---|
| Molecular Weight | 333.06 g/mol |
| LogP | 2.02734 |
| Topological Polar Surface Area | 145.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.0597 |
| Heavy Atoms | 24 |
| Complexity | 917.06946 |
Chemical Identifiers
| CAS Number | 868679-92-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C |
Product Overview
6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-methyl-3-nitrobenzoate (CAS 868679-92-9), with molecular formula C14H11N3O7 and molecular weight 333.06 g/mol. IUPAC: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 2-methyl-3-nitrobenzoate.
Chemical Property Profile of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-methyl-3-nitrobenzoate
Property Insights of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-methyl-3-nitrobenzoate
The XLogP value of 2.02734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-methyl-3-nitrobenzoate. The TPSA of 145.44 Ų indicates high polarity, suggesting 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-methyl-3-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-methyl-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-1,2-dihydropyridin-4-yl 2-methyl-3-nitrobenzoate?
The CAS number of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-methyl-3-nitrobenzoate is 868679-92-9.
What is the molecular formula of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-methyl-3-nitrobenzoate?
The molecular formula of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-methyl-3-nitrobenzoate is C14H11N3O7.
What is the molecular weight of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-methyl-3-nitrobenzoate?
The molecular weight of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-methyl-3-nitrobenzoate is 333.06 g/mol.
Where can I buy 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-methyl-3-nitrobenzoate?
You can request a quote for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-methyl-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-1,2-dihydropyridin-4-yl 2-methyl-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2-methyl-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.