6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-phenylbutanoate
TL;DR: 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-phenylbutanoate (CAS 868680-15-3) is a chemical compound with molecular formula C16H16N2O5 and molecular weight 316.11 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-phenylbutanoate
Also Known As: 6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-phenylbutanoate, AB00676262-01, (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-phenylbutanoate, F1826-0115
| Molecular Formula | C16H16N2O5 |
|---|---|
| Molecular Weight | 316.11 g/mol |
| LogP | 2.51982 |
| Topological Polar Surface Area | 102.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.10593 |
| Heavy Atoms | 23 |
| Complexity | 767.7852 |
Chemical Identifiers
| CAS Number | 868680-15-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)CCCC2=CC=CC=C2 |
Product Overview
6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-phenylbutanoate (CAS 868680-15-3), with molecular formula C16H16N2O5 and molecular weight 316.11 g/mol. IUPAC: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-phenylbutanoate.
Chemical Property Profile of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-phenylbutanoate
Property Insights of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-phenylbutanoate
The XLogP value of 2.51982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-phenylbutanoate. 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 4-phenylbutanoate. Following Lipinski's Rule of Five, 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-phenylbutanoate 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 4-phenylbutanoate?
The CAS number of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-phenylbutanoate is 868680-15-3.
What is the molecular formula of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-phenylbutanoate?
The molecular formula of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-phenylbutanoate is C16H16N2O5.
What is the molecular weight of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-phenylbutanoate?
The molecular weight of 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-phenylbutanoate is 316.11 g/mol.
Where can I buy 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-phenylbutanoate?
You can request a quote for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-phenylbutanoate 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-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 4-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.