Isopropyl 2-methyl-5-(pivaloyloxy)benzofuran-3-carboxylate
TL;DR: Isopropyl 2-methyl-5-(pivaloyloxy)benzofuran-3-carboxylate (CAS 301682-67-7) is a chemical compound with molecular formula C18H22O5 and molecular weight 318.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-(2,2-dimethylpropanoyloxy)-2-methyl-1-benzofuran-3-carboxylate
Also Known As: isopropyl 2-methyl-5-(pivaloyloxy)benzofuran-3-carboxylate, propan-2-yl 5-[(2,2-dimethylpropanoyl)oxy]-2-methyl-1-benzofuran-3-carboxylate, F0308-0526, propan-2-yl 5-(2,2-dimethylpropanoyloxy)-2-methyl-1-benzofuran-3-carboxylate, 2-methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yl 2,2-dimethylpropanoate
| Molecular Formula | C18H22O5 |
|---|---|
| Molecular Weight | 318.15 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.14673 |
| Heavy Atoms | 23 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 301682-67-7 |
|---|---|
| SMILES | CC1=C(C2=C(O1)C=CC(=C2)OC(=O)C(C)(C)C)C(=O)OC(C)C |
| InChIKey | MSHNHUTYKOUGEH-UHFFFAOYSA-N |
Product Overview
Isopropyl 2-methyl-5-(pivaloyloxy)benzofuran-3-carboxylate (CAS 301682-67-7), with molecular formula C18H22O5 and molecular weight 318.15 g/mol. IUPAC: propan-2-yl 5-(2,2-dimethylpropanoyloxy)-2-methyl-1-benzofuran-3-carboxylate.
Chemical Property Profile of Isopropyl 2-methyl-5-(pivaloyloxy)benzofuran-3-carboxylate
Property Insights of Isopropyl 2-methyl-5-(pivaloyloxy)benzofuran-3-carboxylate
The XLogP value of 4.5 indicates that Isopropyl 2-methyl-5-(pivaloyloxy)benzofuran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropyl 2-methyl-5-(pivaloyloxy)benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Isopropyl 2-methyl-5-(pivaloyloxy)benzofuran-3-carboxylate has 0 hydrogen bond donor(s) and 5 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 Isopropyl 2-methyl-5-(pivaloyloxy)benzofuran-3-carboxylate?
The CAS number of Isopropyl 2-methyl-5-(pivaloyloxy)benzofuran-3-carboxylate is 301682-67-7.
What is the molecular formula of Isopropyl 2-methyl-5-(pivaloyloxy)benzofuran-3-carboxylate?
The molecular formula of Isopropyl 2-methyl-5-(pivaloyloxy)benzofuran-3-carboxylate is C18H22O5.
What is the molecular weight of Isopropyl 2-methyl-5-(pivaloyloxy)benzofuran-3-carboxylate?
The molecular weight of Isopropyl 2-methyl-5-(pivaloyloxy)benzofuran-3-carboxylate is 318.15 g/mol.
Where can I buy Isopropyl 2-methyl-5-(pivaloyloxy)benzofuran-3-carboxylate?
You can request a quote for Isopropyl 2-methyl-5-(pivaloyloxy)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 Isopropyl 2-methyl-5-(pivaloyloxy)benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-methyl-5-(pivaloyloxy)benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.