5-methyl-2-oxo-2H-chromen-7-yl 4-nitrobenzoate
TL;DR: 5-methyl-2-oxo-2H-chromen-7-yl 4-nitrobenzoate (CAS 339207-49-7) is a chemical compound with molecular formula C17H11NO6 and molecular weight 325.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-oxochromen-7-yl) 4-nitrobenzoate
Also Known As: 5-methyl-2-oxo-2H-chromen-7-yl 4-nitrobenzoate, (5-methyl-2-oxochromen-7-yl) 4-nitrobenzoate
| Molecular Formula | C17H11NO6 |
|---|---|
| Molecular Weight | 325.06 g/mol |
| LogP | 3.22882 |
| Topological Polar Surface Area | 99.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.05862 |
| Heavy Atoms | 24 |
| Complexity | 1003.75964 |
Chemical Identifiers
| CAS Number | 339207-49-7 |
|---|---|
| SMILES | CC1=CC(=CC2=C1C=CC(=O)O2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
5-methyl-2-oxo-2H-chromen-7-yl 4-nitrobenzoate (CAS 339207-49-7), with molecular formula C17H11NO6 and molecular weight 325.06 g/mol. IUPAC: (5-methyl-2-oxochromen-7-yl) 4-nitrobenzoate.
Chemical Property Profile of 5-methyl-2-oxo-2H-chromen-7-yl 4-nitrobenzoate
Property Insights of 5-methyl-2-oxo-2H-chromen-7-yl 4-nitrobenzoate
The XLogP value of 3.22882 indicates that 5-methyl-2-oxo-2H-chromen-7-yl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-2-oxo-2H-chromen-7-yl 4-nitrobenzoate. Following Lipinski's Rule of Five, 5-methyl-2-oxo-2H-chromen-7-yl 4-nitrobenzoate has 0 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 5-methyl-2-oxo-2H-chromen-7-yl 4-nitrobenzoate?
The CAS number of 5-methyl-2-oxo-2H-chromen-7-yl 4-nitrobenzoate is 339207-49-7.
What is the molecular formula of 5-methyl-2-oxo-2H-chromen-7-yl 4-nitrobenzoate?
The molecular formula of 5-methyl-2-oxo-2H-chromen-7-yl 4-nitrobenzoate is C17H11NO6.
What is the molecular weight of 5-methyl-2-oxo-2H-chromen-7-yl 4-nitrobenzoate?
The molecular weight of 5-methyl-2-oxo-2H-chromen-7-yl 4-nitrobenzoate is 325.06 g/mol.
Where can I buy 5-methyl-2-oxo-2H-chromen-7-yl 4-nitrobenzoate?
You can request a quote for 5-methyl-2-oxo-2H-chromen-7-yl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-2-oxo-2H-chromen-7-yl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-2-oxo-2H-chromen-7-yl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.