(2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate
TL;DR: (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate (CAS 622791-41-7) is a chemical compound with molecular formula C22H19BrO4 and molecular weight 426.05 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] cyclohexanecarboxylate
Also Known As: (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate, (Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cyclohexanecarboxylate, [(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] cyclohexanecarboxylate, [2-[(3-bromophenyl)methylidene]-3-oxo-benzofuran-6-yl] Cyclohexanecarboxylate, 2-[(3-bromophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl cyclohexanecarboxylat e
| Molecular Formula | C22H19BrO4 |
|---|---|
| Molecular Weight | 426.05 g/mol |
| LogP | 5.551 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.04666 |
| Heavy Atoms | 27 |
| Complexity | 925.66003 |
Chemical Identifiers
| CAS Number | 622791-41-7 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=CC=C4)Br)/O3 |
Product Overview
(2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate (CAS 622791-41-7), with molecular formula C22H19BrO4 and molecular weight 426.05 g/mol. IUPAC: [(2Z)-2-[(3-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] cyclohexanecarboxylate.
Chemical Property Profile of (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate
Property Insights of (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate
The XLogP value of 5.551 indicates that (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate?
The CAS number of (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate is 622791-41-7.
What is the molecular formula of (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate?
The molecular formula of (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate is C22H19BrO4.
What is the molecular weight of (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate?
The molecular weight of (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate is 426.05 g/mol.
Where can I buy (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate?
You can request a quote for (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-(3-bromobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.