6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-chloro-3-nitrobenzoate
TL;DR: 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-chloro-3-nitrobenzoate (CAS 868679-96-3) is a chemical compound with molecular formula C13H8ClN3O7 and molecular weight 353.01 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) 4-chloro-3-nitrobenzoate
Also Known As: AB00676249-01, 6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-chloro-3-nitrobenzoate, F1826-0075, (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-chloro-3-nitrobenzoate
| Molecular Formula | C13H8ClN3O7 |
|---|---|
| Molecular Weight | 353.01 g/mol |
| LogP | 2.37232 |
| Topological Polar Surface Area | 145.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.00507 |
| Heavy Atoms | 24 |
| Complexity | 922.2667 |
Chemical Identifiers
| CAS Number | 868679-96-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-chloro-3-nitrobenzoate (CAS 868679-96-3), with molecular formula C13H8ClN3O7 and molecular weight 353.01 g/mol. IUPAC: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-chloro-3-nitrobenzoate.
Chemical Property Profile of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-chloro-3-nitrobenzoate
Property Insights of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-chloro-3-nitrobenzoate
The XLogP value of 2.37232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-chloro-3-nitrobenzoate. The TPSA of 145.44 Ų indicates high polarity, suggesting 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-chloro-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 4-chloro-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 4-chloro-3-nitrobenzoate?
The CAS number of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-chloro-3-nitrobenzoate is 868679-96-3.
What is the molecular formula of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-chloro-3-nitrobenzoate?
The molecular formula of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-chloro-3-nitrobenzoate is C13H8ClN3O7.
What is the molecular weight of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-chloro-3-nitrobenzoate?
The molecular weight of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-chloro-3-nitrobenzoate is 353.01 g/mol.
Where can I buy 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-chloro-3-nitrobenzoate?
You can request a quote for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-chloro-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 4-chloro-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-chloro-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.