![6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl thiophene-2-carboxylate structure](/static/products/835/835898-93-6.png)
6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl thiophene-2-carboxylate
TL;DR: 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl thiophene-2-carboxylate (CAS 835898-93-6) is a chemical compound with molecular formula C23H16O6S and molecular weight 420.07 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] thiophene-2-carboxylate
Also Known As: 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl thiophene-2-carboxylate, [6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] thiophene-2-carboxylate, 6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl thiophene-2-carboxylate, 6-(2H-1,3-BENZODIOXOL-5-YL)-1,3-DIMETHYL-4-OXO-4H-CYCLOHEPTA[C]FURAN-8-YL THIOPHENE-2-CARBOXYLATE
| Molecular Formula | C23H16O6S |
|---|---|
| Molecular Weight | 420.07 g/mol |
| LogP | 5.08624 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.06677 |
| Heavy Atoms | 30 |
| Complexity | 1350.6239 |
Chemical Identifiers
| CAS Number | 835898-93-6 |
|---|---|
| SMILES | CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC4=C(C=C3)OCO4)OC(=O)C5=CC=CS5 |
Product Overview
6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl thiophene-2-carboxylate (CAS 835898-93-6), with molecular formula C23H16O6S and molecular weight 420.07 g/mol. IUPAC: [6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] thiophene-2-carboxylate.
Chemical Property Profile of 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl thiophene-2-carboxylate
Property Insights of 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl thiophene-2-carboxylate
The XLogP value of 5.08624 indicates that 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.97 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 thiophene-2-carboxylate. 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 thiophene-2-carboxylate 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-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl thiophene-2-carboxylate?
The CAS number of 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl thiophene-2-carboxylate is 835898-93-6.
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 thiophene-2-carboxylate?
The molecular formula of 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl thiophene-2-carboxylate is C23H16O6S.
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 thiophene-2-carboxylate?
The molecular weight of 6-(benzo[d][1,3]dioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl thiophene-2-carboxylate is 420.07 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 thiophene-2-carboxylate?
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 thiophene-2-carboxylate 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 thiophene-2-carboxylate?
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 thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.