Ethyl 4-bromo-2-formyl-5-(isobutyryloxy)-7-methylbenzofuran-3-carboxylate
TL;DR: Ethyl 4-bromo-2-formyl-5-(isobutyryloxy)-7-methylbenzofuran-3-carboxylate (CAS 324538-71-8) is a chemical compound with molecular formula C17H17BrO6 and molecular weight 396.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-bromo-2-formyl-7-methyl-5-(2-methylpropanoyloxy)-1-benzofuran-3-carboxylate
Also Known As: ETHYL 4-BROMO-2-FORMYL-7-METHYL-5-[(2-METHYLPROPANOYL)OXY]-1-BENZOFURAN-3-CARBOXYLATE, F0062-0003, ethyl 4-bromo-2-formyl-5-(isobutyryloxy)-7-methylbenzofuran-3-carboxylate, ethyl 4-bromo-2-formyl-7-methyl-5-(2-methylpropanoyloxy)-1-benzofuran-3-carboxylate, Ethyl 4-bromo-2-formyl-7-methyl-5-(2-methylpropanoyloxy)benzofuran-3-carboxylate
| Molecular Formula | C17H17BrO6 |
|---|---|
| Molecular Weight | 396.02 g/mol |
| LogP | 4.05432 |
| Topological Polar Surface Area | 82.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.02084 |
| Heavy Atoms | 24 |
| Complexity | 818.3305 |
Chemical Identifiers
| CAS Number | 324538-71-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C=C2C)OC(=O)C(C)C)Br)C=O |
Product Overview
Ethyl 4-bromo-2-formyl-5-(isobutyryloxy)-7-methylbenzofuran-3-carboxylate (CAS 324538-71-8), with molecular formula C17H17BrO6 and molecular weight 396.02 g/mol. IUPAC: ethyl 4-bromo-2-formyl-7-methyl-5-(2-methylpropanoyloxy)-1-benzofuran-3-carboxylate.
Chemical Property Profile of Ethyl 4-bromo-2-formyl-5-(isobutyryloxy)-7-methylbenzofuran-3-carboxylate
Property Insights of Ethyl 4-bromo-2-formyl-5-(isobutyryloxy)-7-methylbenzofuran-3-carboxylate
The XLogP value of 4.05432 indicates that Ethyl 4-bromo-2-formyl-5-(isobutyryloxy)-7-methylbenzofuran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-bromo-2-formyl-5-(isobutyryloxy)-7-methylbenzofuran-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-bromo-2-formyl-5-(isobutyryloxy)-7-methylbenzofuran-3-carboxylate has 0 hydrogen bond donor(s) and 6 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 Ethyl 4-bromo-2-formyl-5-(isobutyryloxy)-7-methylbenzofuran-3-carboxylate?
The CAS number of Ethyl 4-bromo-2-formyl-5-(isobutyryloxy)-7-methylbenzofuran-3-carboxylate is 324538-71-8.
What is the molecular formula of Ethyl 4-bromo-2-formyl-5-(isobutyryloxy)-7-methylbenzofuran-3-carboxylate?
The molecular formula of Ethyl 4-bromo-2-formyl-5-(isobutyryloxy)-7-methylbenzofuran-3-carboxylate is C17H17BrO6.
What is the molecular weight of Ethyl 4-bromo-2-formyl-5-(isobutyryloxy)-7-methylbenzofuran-3-carboxylate?
The molecular weight of Ethyl 4-bromo-2-formyl-5-(isobutyryloxy)-7-methylbenzofuran-3-carboxylate is 396.02 g/mol.
Where can I buy Ethyl 4-bromo-2-formyl-5-(isobutyryloxy)-7-methylbenzofuran-3-carboxylate?
You can request a quote for Ethyl 4-bromo-2-formyl-5-(isobutyryloxy)-7-methylbenzofuran-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 4-bromo-2-formyl-5-(isobutyryloxy)-7-methylbenzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-bromo-2-formyl-5-(isobutyryloxy)-7-methylbenzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.