(6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 1,3-benzodioxole-5-carboxylate
TL;DR: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 1,3-benzodioxole-5-carboxylate (CAS 868679-66-7) is a chemical compound with molecular formula C14H10N2O7 and molecular weight 318.05 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) 1,3-benzodioxole-5-carboxylate
Also Known As: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 1,3-benzodioxole-5-carboxylate, F1826-0047, 6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl benzo[d][1,3]dioxole-5-carboxylate, 6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 2H-1,3-benzodioxole-5-carboxylate
| Molecular Formula | C14H10N2O7 |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 1.53942 |
| Topological Polar Surface Area | 120.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.0488 |
| Heavy Atoms | 23 |
| Complexity | 871.91486 |
Chemical Identifiers
| CAS Number | 868679-66-7 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
(6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 1,3-benzodioxole-5-carboxylate (CAS 868679-66-7), with molecular formula C14H10N2O7 and molecular weight 318.05 g/mol. IUPAC: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 1,3-benzodioxole-5-carboxylate
Property Insights of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 1,3-benzodioxole-5-carboxylate
The XLogP value of 1.53942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 1,3-benzodioxole-5-carboxylate. The TPSA of 120.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 1,3-benzodioxole-5-carboxylate. Following Lipinski's Rule of Five, (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 1,3-benzodioxole-5-carboxylate 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) 1,3-benzodioxole-5-carboxylate?
The CAS number of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 1,3-benzodioxole-5-carboxylate is 868679-66-7.
What is the molecular formula of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 1,3-benzodioxole-5-carboxylate?
The molecular formula of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 1,3-benzodioxole-5-carboxylate is C14H10N2O7.
What is the molecular weight of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 1,3-benzodioxole-5-carboxylate?
The molecular weight of (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 1,3-benzodioxole-5-carboxylate is 318.05 g/mol.
Where can I buy (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 1,3-benzodioxole-5-carboxylate?
You can request a quote for (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 1,3-benzodioxole-5-carboxylate 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) 1,3-benzodioxole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 1,3-benzodioxole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.