3-(4-nitrophenoxy)-4-oxo-4H-chromene-5,7-diyl diacetate
TL;DR: 3-(4-nitrophenoxy)-4-oxo-4H-chromene-5,7-diyl diacetate (CAS 243657-91-2) is a chemical compound with molecular formula C19H13NO9 and molecular weight 399.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-acetyloxy-3-(4-nitrophenoxy)-4-oxochromen-7-yl] acetate
Also Known As: NPD405, 3-(4-nitrophenoxy)-4-oxo-4H-chromene-5,7-diyl diacetate, AF-399/33099004, [5-acetyloxy-3-(4-nitrophenoxy)-4-oxochromen-7-yl] acetate, 5-(acetyloxy)-3-{4-nitrophenoxy}-4-oxo-4H-chromen-7-yl acetate
| Molecular Formula | C19H13NO9 |
|---|---|
| Molecular Weight | 399.06 g/mol |
| LogP | 3.3441 |
| Topological Polar Surface Area | 135.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.05902 |
| Heavy Atoms | 29 |
| Complexity | 1178.7444 |
Chemical Identifiers
| CAS Number | 243657-91-2 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C(=C1)OC(=O)C)C(=O)C(=CO2)OC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-(4-nitrophenoxy)-4-oxo-4H-chromene-5,7-diyl diacetate (CAS 243657-91-2), with molecular formula C19H13NO9 and molecular weight 399.06 g/mol. IUPAC: [5-acetyloxy-3-(4-nitrophenoxy)-4-oxochromen-7-yl] acetate.
Chemical Property Profile of 3-(4-nitrophenoxy)-4-oxo-4H-chromene-5,7-diyl diacetate
Property Insights of 3-(4-nitrophenoxy)-4-oxo-4H-chromene-5,7-diyl diacetate
The XLogP value of 3.3441 indicates that 3-(4-nitrophenoxy)-4-oxo-4H-chromene-5,7-diyl diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-nitrophenoxy)-4-oxo-4H-chromene-5,7-diyl diacetate. Following Lipinski's Rule of Five, 3-(4-nitrophenoxy)-4-oxo-4H-chromene-5,7-diyl diacetate has 0 hydrogen bond donor(s) and 9 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-nitrophenoxy)-4-oxo-4H-chromene-5,7-diyl diacetate?
The CAS number of 3-(4-nitrophenoxy)-4-oxo-4H-chromene-5,7-diyl diacetate is 243657-91-2.
What is the molecular formula of 3-(4-nitrophenoxy)-4-oxo-4H-chromene-5,7-diyl diacetate?
The molecular formula of 3-(4-nitrophenoxy)-4-oxo-4H-chromene-5,7-diyl diacetate is C19H13NO9.
What is the molecular weight of 3-(4-nitrophenoxy)-4-oxo-4H-chromene-5,7-diyl diacetate?
The molecular weight of 3-(4-nitrophenoxy)-4-oxo-4H-chromene-5,7-diyl diacetate is 399.06 g/mol.
Where can I buy 3-(4-nitrophenoxy)-4-oxo-4H-chromene-5,7-diyl diacetate?
You can request a quote for 3-(4-nitrophenoxy)-4-oxo-4H-chromene-5,7-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-nitrophenoxy)-4-oxo-4H-chromene-5,7-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-nitrophenoxy)-4-oxo-4H-chromene-5,7-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.