4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-methyl-3-(4-nitrophenyl)-
TL;DR: 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-methyl-3-(4-nitrophenyl)- (CAS 64194-39-4) is a chemical compound with molecular formula C20H15NO8 and molecular weight 397.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-acetyloxy-2-methyl-3-(4-nitrophenyl)-4-oxochromen-7-yl] acetate
Also Known As: Tetradecanoic acid,3-hydroxy-2-methyl, 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-methyl-3-(4-nitrophenyl)-, [5-acetyloxy-2-methyl-3-(4-nitrophenyl)-4-oxochromen-7-yl] acetate, 2-Methyl-3-(4-nitrophenyl)-4-oxo-4H-chromene-5,7-diyl diacetate, 5-(acetyloxy)-2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl acetate
| Molecular Formula | C20H15NO8 |
|---|---|
| Molecular Weight | 397.08 g/mol |
| LogP | 3.52722 |
| Topological Polar Surface Area | 125.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.07977 |
| Heavy Atoms | 29 |
| Complexity | 1207.8636 |
Chemical Identifiers
| CAS Number | 64194-39-4 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(O1)C=C(C=C2OC(=O)C)OC(=O)C)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-methyl-3-(4-nitrophenyl)- (CAS 64194-39-4), with molecular formula C20H15NO8 and molecular weight 397.08 g/mol. IUPAC: [5-acetyloxy-2-methyl-3-(4-nitrophenyl)-4-oxochromen-7-yl] acetate.
Chemical Property Profile of 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-methyl-3-(4-nitrophenyl)-
Property Insights of 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-methyl-3-(4-nitrophenyl)-
The XLogP value of 3.52722 indicates that 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-methyl-3-(4-nitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-methyl-3-(4-nitrophenyl)-. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-methyl-3-(4-nitrophenyl)- has 0 hydrogen bond donor(s) and 8 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 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-methyl-3-(4-nitrophenyl)-?
The CAS number of 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-methyl-3-(4-nitrophenyl)- is 64194-39-4.
What is the molecular formula of 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-methyl-3-(4-nitrophenyl)-?
The molecular formula of 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-methyl-3-(4-nitrophenyl)- is C20H15NO8.
What is the molecular weight of 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-methyl-3-(4-nitrophenyl)-?
The molecular weight of 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-methyl-3-(4-nitrophenyl)- is 397.08 g/mol.
Where can I buy 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-methyl-3-(4-nitrophenyl)-?
You can request a quote for 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-methyl-3-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-methyl-3-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-2-methyl-3-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.