3-(4-Nitro benzoyloxy) flavone
TL;DR: 3-(4-Nitro benzoyloxy) flavone (CAS 691392-48-0) 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-2-phenylchromen-3-yl) 4-nitrobenzoate
Also Known As: 3-(4-nitro benzoyloxy) flavone, 4-oxo-2-phenylchromen-3-yl 4-nitrobenzoate, (4-oxo-2-phenylchromen-3-yl) 4-nitrobenzoate, 4-oxo-2-phenyl-4H-chromen-3-yl 4-nitrobenzoate, 4-oxo-2-phenyl-4H-chromen-3-yl4-nitrobenzoate
| 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 | 691392-48-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-(4-Nitro benzoyloxy) flavone (CAS 691392-48-0), with molecular formula C22H13NO6 and molecular weight 387.07 g/mol. IUPAC: (4-oxo-2-phenylchromen-3-yl) 4-nitrobenzoate.
Chemical Property Profile of 3-(4-Nitro benzoyloxy) flavone
Property Insights of 3-(4-Nitro benzoyloxy) flavone
The XLogP value of 4.5874 indicates that 3-(4-Nitro benzoyloxy) flavone 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-(4-Nitro benzoyloxy) flavone. Following Lipinski's Rule of Five, 3-(4-Nitro benzoyloxy) flavone 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-(4-Nitro benzoyloxy) flavone?
The CAS number of 3-(4-Nitro benzoyloxy) flavone is 691392-48-0.
What is the molecular formula of 3-(4-Nitro benzoyloxy) flavone?
The molecular formula of 3-(4-Nitro benzoyloxy) flavone is C22H13NO6.
What is the molecular weight of 3-(4-Nitro benzoyloxy) flavone?
The molecular weight of 3-(4-Nitro benzoyloxy) flavone is 387.07 g/mol.
Where can I buy 3-(4-Nitro benzoyloxy) flavone?
You can request a quote for 3-(4-Nitro benzoyloxy) flavone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Nitro benzoyloxy) flavone?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitro benzoyloxy) flavone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.