2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromene-7,8-diyl diacetate
TL;DR: 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromene-7,8-diyl diacetate (CAS 369606-43-9) 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.
[8-acetyloxy-2-methyl-3-(4-nitrophenyl)-4-oxochromen-7-yl] acetate
Also Known As: 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromene-7,8-diyl diacetate, [8-acetyloxy-2-methyl-3-(4-nitrophenyl)-4-oxochromen-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 | 369606-43-9 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(O1)C(=C(C=C2)OC(=O)C)OC(=O)C)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromene-7,8-diyl diacetate (CAS 369606-43-9), with molecular formula C20H15NO8 and molecular weight 397.08 g/mol. IUPAC: [8-acetyloxy-2-methyl-3-(4-nitrophenyl)-4-oxochromen-7-yl] acetate.
Chemical Property Profile of 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromene-7,8-diyl diacetate
Property Insights of 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromene-7,8-diyl diacetate
The XLogP value of 3.52722 indicates that 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromene-7,8-diyl diacetate 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 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromene-7,8-diyl diacetate. Following Lipinski's Rule of Five, 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromene-7,8-diyl diacetate 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 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromene-7,8-diyl diacetate?
The CAS number of 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromene-7,8-diyl diacetate is 369606-43-9.
What is the molecular formula of 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromene-7,8-diyl diacetate?
The molecular formula of 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromene-7,8-diyl diacetate is C20H15NO8.
What is the molecular weight of 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromene-7,8-diyl diacetate?
The molecular weight of 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromene-7,8-diyl diacetate is 397.08 g/mol.
Where can I buy 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromene-7,8-diyl diacetate?
You can request a quote for 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromene-7,8-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromene-7,8-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromene-7,8-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.