2-oxo-2H-chromen-4-yl 4-ethoxy-3-nitrobenzoate
TL;DR: 2-oxo-2H-chromen-4-yl 4-ethoxy-3-nitrobenzoate (CAS 692281-46-2) is a chemical compound with molecular formula C18H13NO7 and molecular weight 355.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxochromen-4-yl) 4-ethoxy-3-nitrobenzoate
Also Known As: 2-oxo-2H-chromen-4-yl 4-ethoxy-3-nitrobenzoate, (2-oxochromen-4-yl) 4-ethoxy-3-nitrobenzoate
| Molecular Formula | C18H13NO7 |
|---|---|
| Molecular Weight | 355.07 g/mol |
| LogP | 3.3191 |
| Topological Polar Surface Area | 108.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.0692 |
| Heavy Atoms | 26 |
| Complexity | 1054.8341 |
Chemical Identifiers
| CAS Number | 692281-46-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)OC2=CC(=O)OC3=CC=CC=C32)[N+](=O)[O-] |
Product Overview
2-oxo-2H-chromen-4-yl 4-ethoxy-3-nitrobenzoate (CAS 692281-46-2), with molecular formula C18H13NO7 and molecular weight 355.07 g/mol. IUPAC: (2-oxochromen-4-yl) 4-ethoxy-3-nitrobenzoate.
Chemical Property Profile of 2-oxo-2H-chromen-4-yl 4-ethoxy-3-nitrobenzoate
Property Insights of 2-oxo-2H-chromen-4-yl 4-ethoxy-3-nitrobenzoate
The XLogP value of 3.3191 indicates that 2-oxo-2H-chromen-4-yl 4-ethoxy-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-oxo-2H-chromen-4-yl 4-ethoxy-3-nitrobenzoate. Following Lipinski's Rule of Five, 2-oxo-2H-chromen-4-yl 4-ethoxy-3-nitrobenzoate has 0 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 2-oxo-2H-chromen-4-yl 4-ethoxy-3-nitrobenzoate?
The CAS number of 2-oxo-2H-chromen-4-yl 4-ethoxy-3-nitrobenzoate is 692281-46-2.
What is the molecular formula of 2-oxo-2H-chromen-4-yl 4-ethoxy-3-nitrobenzoate?
The molecular formula of 2-oxo-2H-chromen-4-yl 4-ethoxy-3-nitrobenzoate is C18H13NO7.
What is the molecular weight of 2-oxo-2H-chromen-4-yl 4-ethoxy-3-nitrobenzoate?
The molecular weight of 2-oxo-2H-chromen-4-yl 4-ethoxy-3-nitrobenzoate is 355.07 g/mol.
Where can I buy 2-oxo-2H-chromen-4-yl 4-ethoxy-3-nitrobenzoate?
You can request a quote for 2-oxo-2H-chromen-4-yl 4-ethoxy-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-oxo-2H-chromen-4-yl 4-ethoxy-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2H-chromen-4-yl 4-ethoxy-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.