6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl propionate
TL;DR: 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl propionate (CAS 868679-30-5) is a chemical compound with molecular formula C9H10N2O5 and molecular weight 226.06 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) propanoate
Also Known As: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) propanoate, 6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl propionate, AB00676199-01, 6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl propanoate, F1826-0002
| Molecular Formula | C9H10N2O5 |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 0.90692 |
| Topological Polar Surface Area | 102.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.05898 |
| Heavy Atoms | 16 |
| Complexity | 491.16296 |
Chemical Identifiers
| CAS Number | 868679-30-5 |
|---|---|
| SMILES | CCC(=O)OC1=C(C(=O)NC(=C1)C)[N+](=O)[O-] |
Product Overview
6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl propionate (CAS 868679-30-5), with molecular formula C9H10N2O5 and molecular weight 226.06 g/mol. IUPAC: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) propanoate.
Chemical Property Profile of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl propionate
Property Insights of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl propionate
The XLogP value of 0.90692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl propionate. 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 propionate. Following Lipinski's Rule of Five, 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl propionate 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 propionate?
The CAS number of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl propionate is 868679-30-5.
What is the molecular formula of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl propionate?
The molecular formula of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl propionate is C9H10N2O5.
What is the molecular weight of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl propionate?
The molecular weight of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl propionate is 226.06 g/mol.
Where can I buy 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl propionate?
You can request a quote for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl propionate 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 propionate?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.