propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate
TL;DR: propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate (CAS 308295-99-0) is a chemical compound with molecular formula C19H23BrO5 and molecular weight 410.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate
Also Known As: propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate, BIM-0002411.P001, F0821-0390, isopropyl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methylbenzofuran-3-carboxylate, ISOPROPYL 6-BR-5-(3,3-DIMETHYL-2-OXOBUTOXY)-2-METHYL-1-BENZOFURAN-3-CARBOXYLATE
| Molecular Formula | C19H23BrO5 |
|---|---|
| Molecular Weight | 410.07 g/mol |
| LogP | 5.06292 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.07288 |
| Heavy Atoms | 25 |
| Complexity | 811.30927 |
Chemical Identifiers
| CAS Number | 308295-99-0 |
|---|---|
| SMILES | CC1=C(C2=CC(=C(C=C2O1)Br)OCC(=O)C(C)(C)C)C(=O)OC(C)C |
Product Overview
propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate (CAS 308295-99-0), with molecular formula C19H23BrO5 and molecular weight 410.07 g/mol. IUPAC: propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate
Property Insights of propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate
The XLogP value of 5.06292 indicates that propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate?
The CAS number of propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate is 308295-99-0.
What is the molecular formula of propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate?
The molecular formula of propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate is C19H23BrO5.
What is the molecular weight of propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate?
The molecular weight of propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate is 410.07 g/mol.
Where can I buy propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate?
You can request a quote for propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-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 propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl 6-bromo-5-(3,3-dimethyl-2-oxobutoxy)-2-methyl-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.