![[6-(4-Methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 2-bromobenzoate structure](/static/products/4614/461431-23-2.webp)
[6-(4-Methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 2-bromobenzoate
TL;DR: [6-(4-Methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 2-bromobenzoate (CAS 461431-23-2) is a chemical compound with molecular formula C25H19BrO5 and molecular weight 478.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(4-methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 2-bromobenzoate
Also Known As: 6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-bromobenzoate, [6-(4-methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 2-bromobenzoate
| Molecular Formula | C25H19BrO5 |
|---|---|
| Molecular Weight | 478.04 g/mol |
| LogP | 6.06714 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 478.0416 |
| Heavy Atoms | 31 |
| Complexity | 1353.2013 |
Chemical Identifiers
| CAS Number | 461431-23-2 |
|---|---|
| SMILES | CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC=C(C=C3)OC)OC(=O)C4=CC=CC=C4Br |
Product Overview
[6-(4-Methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 2-bromobenzoate (CAS 461431-23-2), with molecular formula C25H19BrO5 and molecular weight 478.04 g/mol. IUPAC: [6-(4-methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 2-bromobenzoate.
Chemical Property Profile of [6-(4-Methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 2-bromobenzoate
Property Insights of [6-(4-Methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 2-bromobenzoate
The XLogP value of 6.06714 indicates that [6-(4-Methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 2-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for [6-(4-Methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 2-bromobenzoate. Following Lipinski's Rule of Five, [6-(4-Methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 2-bromobenzoate has 0 hydrogen bond donor(s) and 5 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-Methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 2-bromobenzoate?
The CAS number of [6-(4-Methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 2-bromobenzoate is 461431-23-2.
What is the molecular formula of [6-(4-Methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 2-bromobenzoate?
The molecular formula of [6-(4-Methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 2-bromobenzoate is C25H19BrO5.
What is the molecular weight of [6-(4-Methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 2-bromobenzoate?
The molecular weight of [6-(4-Methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 2-bromobenzoate is 478.04 g/mol.
Where can I buy [6-(4-Methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 2-bromobenzoate?
You can request a quote for [6-(4-Methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 2-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [6-(4-Methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [6-(4-Methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.