(Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl furan-2-carboxylate
TL;DR: (Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl furan-2-carboxylate (CAS 622360-85-4) is a chemical compound with molecular formula C20H11BrO5 and molecular weight 409.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] furan-2-carboxylate
Also Known As: (Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl furan-2-carboxylate, AO-022/42312776, F3385-0247, (2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl furan-2-carboxylate, [(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] furan-2-carboxylate
| Molecular Formula | C20H11BrO5 |
|---|---|
| Molecular Weight | 409.98 g/mol |
| LogP | 4.8775 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.979 |
| Heavy Atoms | 26 |
| Complexity | 1034.1149 |
Chemical Identifiers
| CAS Number | 622360-85-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=CO4 |
Product Overview
(Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl furan-2-carboxylate (CAS 622360-85-4), with molecular formula C20H11BrO5 and molecular weight 409.98 g/mol. IUPAC: [(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] furan-2-carboxylate.
Chemical Property Profile of (Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl furan-2-carboxylate
Property Insights of (Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl furan-2-carboxylate
The XLogP value of 4.8775 indicates that (Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl furan-2-carboxylate 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 (Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl furan-2-carboxylate. Following Lipinski's Rule of Five, (Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl furan-2-carboxylate has 0 hydrogen bond donor(s) and 5 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 (Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl furan-2-carboxylate?
The CAS number of (Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl furan-2-carboxylate is 622360-85-4.
What is the molecular formula of (Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl furan-2-carboxylate?
The molecular formula of (Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl furan-2-carboxylate is C20H11BrO5.
What is the molecular weight of (Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl furan-2-carboxylate?
The molecular weight of (Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl furan-2-carboxylate is 409.98 g/mol.
Where can I buy (Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl furan-2-carboxylate?
You can request a quote for (Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl furan-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.