ethyl 3-(4,8-dimethyl-7-((4-nitrobenzyl)oxy)-2-oxo-2H-chromen-3-yl)propanoate
TL;DR: ethyl 3-(4,8-dimethyl-7-((4-nitrobenzyl)oxy)-2-oxo-2H-chromen-3-yl)propanoate (CAS 716341-99-0) is a chemical compound with molecular formula C23H23NO7 and molecular weight 425.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[4,8-dimethyl-7-[(4-nitrophenyl)methoxy]-2-oxochromen-3-yl]propanoate
Also Known As: EiM07-28277, ethyl 3-(4,8-dimethyl-7-((4-nitrobenzyl)oxy)-2-oxo-2H-chromen-3-yl)propanoate, Ethyl 3-[4,8-dimethyl-7-[(4-nitrophenyl)methoxy]-2-oxo-chromen-3-yl]propanoate, ethyl 3-[4,8-dimethyl-7-[(4-nitrophenyl)methoxy]-2-oxochromen-3-yl]propanoate, ethyl 3-{4,8-dimethyl-7-[(4-nitrobenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoate
| Molecular Formula | C23H23NO7 |
|---|---|
| Molecular Weight | 425.15 g/mol |
| LogP | 4.39274 |
| Topological Polar Surface Area | 108.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.14746 |
| Heavy Atoms | 31 |
| Complexity | 1179.2346 |
Chemical Identifiers
| CAS Number | 716341-99-0 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(C2=C(C(=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C)OC1=O)C |
Product Overview
ethyl 3-(4,8-dimethyl-7-((4-nitrobenzyl)oxy)-2-oxo-2H-chromen-3-yl)propanoate (CAS 716341-99-0), with molecular formula C23H23NO7 and molecular weight 425.15 g/mol. IUPAC: ethyl 3-[4,8-dimethyl-7-[(4-nitrophenyl)methoxy]-2-oxochromen-3-yl]propanoate.
Chemical Property Profile of ethyl 3-(4,8-dimethyl-7-((4-nitrobenzyl)oxy)-2-oxo-2H-chromen-3-yl)propanoate
Property Insights of ethyl 3-(4,8-dimethyl-7-((4-nitrobenzyl)oxy)-2-oxo-2H-chromen-3-yl)propanoate
The XLogP value of 4.39274 indicates that ethyl 3-(4,8-dimethyl-7-((4-nitrobenzyl)oxy)-2-oxo-2H-chromen-3-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.88 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(4,8-dimethyl-7-((4-nitrobenzyl)oxy)-2-oxo-2H-chromen-3-yl)propanoate. Following Lipinski's Rule of Five, ethyl 3-(4,8-dimethyl-7-((4-nitrobenzyl)oxy)-2-oxo-2H-chromen-3-yl)propanoate has 0 hydrogen bond donor(s) and 7 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 ethyl 3-(4,8-dimethyl-7-((4-nitrobenzyl)oxy)-2-oxo-2H-chromen-3-yl)propanoate?
The CAS number of ethyl 3-(4,8-dimethyl-7-((4-nitrobenzyl)oxy)-2-oxo-2H-chromen-3-yl)propanoate is 716341-99-0.
What is the molecular formula of ethyl 3-(4,8-dimethyl-7-((4-nitrobenzyl)oxy)-2-oxo-2H-chromen-3-yl)propanoate?
The molecular formula of ethyl 3-(4,8-dimethyl-7-((4-nitrobenzyl)oxy)-2-oxo-2H-chromen-3-yl)propanoate is C23H23NO7.
What is the molecular weight of ethyl 3-(4,8-dimethyl-7-((4-nitrobenzyl)oxy)-2-oxo-2H-chromen-3-yl)propanoate?
The molecular weight of ethyl 3-(4,8-dimethyl-7-((4-nitrobenzyl)oxy)-2-oxo-2H-chromen-3-yl)propanoate is 425.15 g/mol.
Where can I buy ethyl 3-(4,8-dimethyl-7-((4-nitrobenzyl)oxy)-2-oxo-2H-chromen-3-yl)propanoate?
You can request a quote for ethyl 3-(4,8-dimethyl-7-((4-nitrobenzyl)oxy)-2-oxo-2H-chromen-3-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-(4,8-dimethyl-7-((4-nitrobenzyl)oxy)-2-oxo-2H-chromen-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(4,8-dimethyl-7-((4-nitrobenzyl)oxy)-2-oxo-2H-chromen-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.