![6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate structure](/static/products/714/714292-92-9.png)
6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate
TL;DR: 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate (CAS 714292-92-9) is a chemical compound with molecular formula C26H21NO7 and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(4-ethoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 3-nitrobenzoate
Also Known As: 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate, [6-(4-ethoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 3-nitrobenzoate
| Molecular Formula | C26H21NO7 |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | 5.60294 |
| Topological Polar Surface Area | 108.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.1318 |
| Heavy Atoms | 34 |
| Complexity | 1469.5024 |
Chemical Identifiers
| CAS Number | 714292-92-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=CC(=O)C3=C(OC(=C3C(=C2)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C)C |
Product Overview
6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate (CAS 714292-92-9), with molecular formula C26H21NO7 and molecular weight 459.13 g/mol. IUPAC: [6-(4-ethoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 3-nitrobenzoate.
Chemical Property Profile of 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate
Property Insights of 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate
The XLogP value of 5.60294 indicates that 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate 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 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate. Following Lipinski's Rule of Five, 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate?
The CAS number of 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate is 714292-92-9.
What is the molecular formula of 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate?
The molecular formula of 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate is C26H21NO7.
What is the molecular weight of 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate?
The molecular weight of 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate is 459.13 g/mol.
Where can I buy 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate?
You can request a quote for 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.