6-Bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 3,4-dimethoxybenzoate
TL;DR: 6-Bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 3,4-dimethoxybenzoate (CAS 384368-15-4) is a chemical compound with molecular formula C21H19BrO7 and molecular weight 462.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-5-(3,4-dimethoxybenzoyl)oxy-2-methyl-1-benzofuran-3-carboxylate
Also Known As: 6-bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 3,4-dimethoxybenzoate, ethyl 6-bromo-5-((3,4-dimethoxybenzoyl)oxy)-2-methylbenzofuran-3-carboxylate, F3139-0147, ETHYL 6-BROMO-5-(3,4-DIMETHOXYBENZOYLOXY)-2-METHYL-1-BENZOFURAN-3-CARBOXYLATE, ethyl 6-bromo-5-(3,4-dimethoxybenzoyl)oxy-2-methyl-1-benzofuran-3-carboxylate
| Molecular Formula | C21H19BrO7 |
|---|---|
| Molecular Weight | 462.03 g/mol |
| LogP | 4.91682 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.03143 |
| Heavy Atoms | 29 |
| Complexity | 1084.3134 |
Chemical Identifiers
| CAS Number | 384368-15-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC(=O)C3=CC(=C(C=C3)OC)OC)Br)C |
Product Overview
6-Bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 3,4-dimethoxybenzoate (CAS 384368-15-4), with molecular formula C21H19BrO7 and molecular weight 462.03 g/mol. IUPAC: ethyl 6-bromo-5-(3,4-dimethoxybenzoyl)oxy-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of 6-Bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 3,4-dimethoxybenzoate
Property Insights of 6-Bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 3,4-dimethoxybenzoate
The XLogP value of 4.91682 indicates that 6-Bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 3,4-dimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 3,4-dimethoxybenzoate. Following Lipinski's Rule of Five, 6-Bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 3,4-dimethoxybenzoate has 0 hydrogen bond donor(s) and 7 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 6-Bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 3,4-dimethoxybenzoate?
The CAS number of 6-Bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 3,4-dimethoxybenzoate is 384368-15-4.
What is the molecular formula of 6-Bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 3,4-dimethoxybenzoate?
The molecular formula of 6-Bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 3,4-dimethoxybenzoate is C21H19BrO7.
What is the molecular weight of 6-Bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 3,4-dimethoxybenzoate?
The molecular weight of 6-Bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 3,4-dimethoxybenzoate is 462.03 g/mol.
Where can I buy 6-Bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 3,4-dimethoxybenzoate?
You can request a quote for 6-Bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 3,4-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 3,4-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-3-(ethoxycarbonyl)-2-methylbenzo[b]furan-5-yl 3,4-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.