4-oxo-3-phenyl-4H-chromen-7-yl 4-nitrobenzoate
TL;DR: 4-oxo-3-phenyl-4H-chromen-7-yl 4-nitrobenzoate (CAS 618390-53-7) is a chemical compound with molecular formula C22H13NO6 and molecular weight 387.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-oxo-3-phenylchromen-7-yl) 4-nitrobenzoate
Also Known As: 4-oxo-3-phenyl-4H-chromen-7-yl 4-nitrobenzoate, (4-oxo-3-phenylchromen-7-yl) 4-nitrobenzoate, 4-oxo-3-phenylchromen-7-yl 4-nitrobenzoate, VU0616596-1, F3385-0014
| Molecular Formula | C22H13NO6 |
|---|---|
| Molecular Weight | 387.07 g/mol |
| LogP | 4.5874 |
| Topological Polar Surface Area | 99.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.07428 |
| Heavy Atoms | 29 |
| Complexity | 1276.4479 |
Chemical Identifiers
| CAS Number | 618390-53-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
4-oxo-3-phenyl-4H-chromen-7-yl 4-nitrobenzoate (CAS 618390-53-7), with molecular formula C22H13NO6 and molecular weight 387.07 g/mol. IUPAC: (4-oxo-3-phenylchromen-7-yl) 4-nitrobenzoate.
Chemical Property Profile of 4-oxo-3-phenyl-4H-chromen-7-yl 4-nitrobenzoate
Property Insights of 4-oxo-3-phenyl-4H-chromen-7-yl 4-nitrobenzoate
The XLogP value of 4.5874 indicates that 4-oxo-3-phenyl-4H-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 4-oxo-3-phenyl-4H-chromen-7-yl 4-nitrobenzoate. Following Lipinski's Rule of Five, 4-oxo-3-phenyl-4H-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 4-oxo-3-phenyl-4H-chromen-7-yl 4-nitrobenzoate?
The CAS number of 4-oxo-3-phenyl-4H-chromen-7-yl 4-nitrobenzoate is 618390-53-7.
What is the molecular formula of 4-oxo-3-phenyl-4H-chromen-7-yl 4-nitrobenzoate?
The molecular formula of 4-oxo-3-phenyl-4H-chromen-7-yl 4-nitrobenzoate is C22H13NO6.
What is the molecular weight of 4-oxo-3-phenyl-4H-chromen-7-yl 4-nitrobenzoate?
The molecular weight of 4-oxo-3-phenyl-4H-chromen-7-yl 4-nitrobenzoate is 387.07 g/mol.
Where can I buy 4-oxo-3-phenyl-4H-chromen-7-yl 4-nitrobenzoate?
You can request a quote for 4-oxo-3-phenyl-4H-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 4-oxo-3-phenyl-4H-chromen-7-yl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-3-phenyl-4H-chromen-7-yl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.