3-benzyl-2-oxo-2H-chromen-4-yl 3-nitrobenzoate
TL;DR: 3-benzyl-2-oxo-2H-chromen-4-yl 3-nitrobenzoate (CAS 692276-53-2) is a chemical compound with molecular formula C23H15NO6 and molecular weight 401.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzyl-2-oxochromen-4-yl) 3-nitrobenzoate
Also Known As: 3-benzyl-2-oxo-2H-chromen-4-yl 3-nitrobenzoate, (3-benzyl-2-oxochromen-4-yl) 3-nitrobenzoate
| Molecular Formula | C23H15NO6 |
|---|---|
| Molecular Weight | 401.09 g/mol |
| LogP | 4.5112 |
| Topological Polar Surface Area | 99.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.08994 |
| Heavy Atoms | 30 |
| Complexity | 1310.3365 |
Chemical Identifiers
| CAS Number | 692276-53-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3OC2=O)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
3-benzyl-2-oxo-2H-chromen-4-yl 3-nitrobenzoate (CAS 692276-53-2), with molecular formula C23H15NO6 and molecular weight 401.09 g/mol. IUPAC: (3-benzyl-2-oxochromen-4-yl) 3-nitrobenzoate.
Chemical Property Profile of 3-benzyl-2-oxo-2H-chromen-4-yl 3-nitrobenzoate
Property Insights of 3-benzyl-2-oxo-2H-chromen-4-yl 3-nitrobenzoate
The XLogP value of 4.5112 indicates that 3-benzyl-2-oxo-2H-chromen-4-yl 3-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 3-benzyl-2-oxo-2H-chromen-4-yl 3-nitrobenzoate. Following Lipinski's Rule of Five, 3-benzyl-2-oxo-2H-chromen-4-yl 3-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 3-benzyl-2-oxo-2H-chromen-4-yl 3-nitrobenzoate?
The CAS number of 3-benzyl-2-oxo-2H-chromen-4-yl 3-nitrobenzoate is 692276-53-2.
What is the molecular formula of 3-benzyl-2-oxo-2H-chromen-4-yl 3-nitrobenzoate?
The molecular formula of 3-benzyl-2-oxo-2H-chromen-4-yl 3-nitrobenzoate is C23H15NO6.
What is the molecular weight of 3-benzyl-2-oxo-2H-chromen-4-yl 3-nitrobenzoate?
The molecular weight of 3-benzyl-2-oxo-2H-chromen-4-yl 3-nitrobenzoate is 401.09 g/mol.
Where can I buy 3-benzyl-2-oxo-2H-chromen-4-yl 3-nitrobenzoate?
You can request a quote for 3-benzyl-2-oxo-2H-chromen-4-yl 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-2-oxo-2H-chromen-4-yl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-2-oxo-2H-chromen-4-yl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.