Methyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
TL;DR: Methyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate (CAS 315237-20-8) is a chemical compound with molecular formula C17H19BrO6 and molecular weight 398.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-bromo-2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-1-benzofuran-3-carboxylate
Also Known As: BIM-0002766.P001, F0821-0383, methyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate, METHYL 6-BROMO-5-[2-(TERT-BUTOXY)-2-OXOETHOXY]-2-METHYL-1-BENZOFURAN-3-CARBOXYLATE, methyl 6-bromo-2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-1-benzofuran-3-carboxylate
| Molecular Formula | C17H19BrO6 |
|---|---|
| Molecular Weight | 398.04 g/mol |
| LogP | 4.01082 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.0365 |
| Heavy Atoms | 24 |
| Complexity | 784.45514 |
Chemical Identifiers
| CAS Number | 315237-20-8 |
|---|---|
| SMILES | CC1=C(C2=CC(=C(C=C2O1)Br)OCC(=O)OC(C)(C)C)C(=O)OC |
Product Overview
Methyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate (CAS 315237-20-8), with molecular formula C17H19BrO6 and molecular weight 398.04 g/mol. IUPAC: methyl 6-bromo-2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-1-benzofuran-3-carboxylate.
Chemical Property Profile of Methyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
Property Insights of Methyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
The XLogP value of 4.01082 indicates that Methyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-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 Methyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Methyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-benzofuran-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 Methyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate?
The CAS number of Methyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate is 315237-20-8.
What is the molecular formula of Methyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate?
The molecular formula of Methyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate is C17H19BrO6.
What is the molecular weight of Methyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate?
The molecular weight of Methyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate is 398.04 g/mol.
Where can I buy Methyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate?
You can request a quote for Methyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-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 Methyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-bromo-5-(2-tert-butoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.