![6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate structure](/static/products/847/847847-46-5.png)
6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate
TL;DR: 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate (CAS 847847-46-5) is a chemical compound with molecular formula C28H24O9 and molecular weight 504.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 3,4,5-trimethoxybenzoate
Also Known As: 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate, [6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 3,4,5-trimethoxybenzoate, 6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate
| Molecular Formula | C28H24O9 |
|---|---|
| Molecular Weight | 504.14 g/mol |
| LogP | 5.05054 |
| Topological Polar Surface Area | 102.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 504.14203 |
| Heavy Atoms | 37 |
| Complexity | 1575.0564 |
Chemical Identifiers
| CAS Number | 847847-46-5 |
|---|---|
| SMILES | CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC4=C(C=C3)OCO4)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC |
Product Overview
6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate (CAS 847847-46-5), with molecular formula C28H24O9 and molecular weight 504.14 g/mol. IUPAC: [6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate
Property Insights of 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate
The XLogP value of 5.05054 indicates that 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate?
The CAS number of 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate is 847847-46-5.
What is the molecular formula of 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate?
The molecular formula of 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate is C28H24O9.
What is the molecular weight of 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate?
The molecular weight of 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate is 504.14 g/mol.
Where can I buy 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate?
You can request a quote for 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.