N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzenecarboxamide
TL;DR: N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzenecarboxamide (CAS 338418-33-0) is a chemical compound with molecular formula C15H12N2O6 and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-4-nitrobenzamide
Also Known As: N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzenecarboxamide, N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzamide, N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-4-nitrobenzamide, N-(5-acetyl-6-methyl-2-oxo-pyran-3-yl)-4-nitro-benzamide
| Molecular Formula | C15H12N2O6 |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 2.31132 |
| Topological Polar Surface Area | 119.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.06955 |
| Heavy Atoms | 23 |
| Complexity | 851.2611 |
Chemical Identifiers
| CAS Number | 338418-33-0 |
|---|---|
| SMILES | CC1=C(C=C(C(=O)O1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C |
Product Overview
N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzenecarboxamide (CAS 338418-33-0), with molecular formula C15H12N2O6 and molecular weight 316.07 g/mol. IUPAC: N-(5-acetyl-6-methyl-2-oxopyran-3-yl)-4-nitrobenzamide.
Chemical Property Profile of N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzenecarboxamide
Property Insights of N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzenecarboxamide
The XLogP value of 2.31132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzenecarboxamide. The TPSA of 119.52 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzenecarboxamide. Following Lipinski's Rule of Five, N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzenecarboxamide has 1 hydrogen bond donor(s) and 6 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 N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzenecarboxamide?
The CAS number of N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzenecarboxamide is 338418-33-0.
What is the molecular formula of N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzenecarboxamide?
The molecular formula of N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzenecarboxamide is C15H12N2O6.
What is the molecular weight of N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzenecarboxamide?
The molecular weight of N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzenecarboxamide is 316.07 g/mol.
Where can I buy N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzenecarboxamide?
You can request a quote for N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-acetyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-nitrobenzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.