Ethyl 6-bromo-2-phenyl-5-(propan-2-yloxycarbonylmethoxy)benzofuran-3-carboxylate
TL;DR: Ethyl 6-bromo-2-phenyl-5-(propan-2-yloxycarbonylmethoxy)benzofuran-3-carboxylate (CAS 385387-54-2) is a chemical compound with molecular formula C22H21BrO6 and molecular weight 460.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-5-(2-oxo-2-propan-2-yloxyethoxy)-2-phenyl-1-benzofuran-3-carboxylate
Also Known As: Ethyl 6-bromo-2-phenyl-5-(propan-2-yloxycarbonylmethoxy)benzofuran-3-carboxylate, ethyl 6-bromo-5-(2-isopropoxy-2-oxoethoxy)-2-phenylbenzofuran-3-carboxylate, ethyl 6-bromo-5-(2-oxo-2-propan-2-yloxyethoxy)-2-phenyl-1-benzofuran-3-carboxylate, ethyl 6-bromo-5-[2-oxo-2-(propan-2-yloxy)ethoxy]-2-phenyl-1-benzofuran-3-carboxylate, methylethyl 2-[6-bromo-3-(ethoxycarbonyl)-2-phenylbenzo[b]furan-5-yloxy]acetat e
| Molecular Formula | C22H21BrO6 |
|---|---|
| Molecular Weight | 460.05 g/mol |
| LogP | 5.3694 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.05215 |
| Heavy Atoms | 29 |
| Complexity | 1022.70856 |
Chemical Identifiers
| CAS Number | 385387-54-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC(=O)OC(C)C)Br)C3=CC=CC=C3 |
Product Overview
Ethyl 6-bromo-2-phenyl-5-(propan-2-yloxycarbonylmethoxy)benzofuran-3-carboxylate (CAS 385387-54-2), with molecular formula C22H21BrO6 and molecular weight 460.05 g/mol. IUPAC: ethyl 6-bromo-5-(2-oxo-2-propan-2-yloxyethoxy)-2-phenyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of Ethyl 6-bromo-2-phenyl-5-(propan-2-yloxycarbonylmethoxy)benzofuran-3-carboxylate
Property Insights of Ethyl 6-bromo-2-phenyl-5-(propan-2-yloxycarbonylmethoxy)benzofuran-3-carboxylate
The XLogP value of 5.3694 indicates that Ethyl 6-bromo-2-phenyl-5-(propan-2-yloxycarbonylmethoxy)benzofuran-3-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 Ethyl 6-bromo-2-phenyl-5-(propan-2-yloxycarbonylmethoxy)benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-bromo-2-phenyl-5-(propan-2-yloxycarbonylmethoxy)benzofuran-3-carboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 6-bromo-2-phenyl-5-(propan-2-yloxycarbonylmethoxy)benzofuran-3-carboxylate?
The CAS number of Ethyl 6-bromo-2-phenyl-5-(propan-2-yloxycarbonylmethoxy)benzofuran-3-carboxylate is 385387-54-2.
What is the molecular formula of Ethyl 6-bromo-2-phenyl-5-(propan-2-yloxycarbonylmethoxy)benzofuran-3-carboxylate?
The molecular formula of Ethyl 6-bromo-2-phenyl-5-(propan-2-yloxycarbonylmethoxy)benzofuran-3-carboxylate is C22H21BrO6.
What is the molecular weight of Ethyl 6-bromo-2-phenyl-5-(propan-2-yloxycarbonylmethoxy)benzofuran-3-carboxylate?
The molecular weight of Ethyl 6-bromo-2-phenyl-5-(propan-2-yloxycarbonylmethoxy)benzofuran-3-carboxylate is 460.05 g/mol.
Where can I buy Ethyl 6-bromo-2-phenyl-5-(propan-2-yloxycarbonylmethoxy)benzofuran-3-carboxylate?
You can request a quote for Ethyl 6-bromo-2-phenyl-5-(propan-2-yloxycarbonylmethoxy)benzofuran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-bromo-2-phenyl-5-(propan-2-yloxycarbonylmethoxy)benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-bromo-2-phenyl-5-(propan-2-yloxycarbonylmethoxy)benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.