isopropyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylate
TL;DR: isopropyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylate (CAS 859667-62-2) is a chemical compound with molecular formula C21H24O6 and molecular weight 372.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxylate
Also Known As: isopropyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylate, propan-2-yl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylate, propan-2-yl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxylate
| Molecular Formula | C21H24O6 |
|---|---|
| Molecular Weight | 372.16 g/mol |
| LogP | 4.08312 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.1573 |
| Heavy Atoms | 27 |
| Complexity | 877.03723 |
Chemical Identifiers
| CAS Number | 859667-62-2 |
|---|---|
| SMILES | CC1=C(OC2=C1C(=O)CC(C2)C3=CC(=C(C=C3)OC)OC)C(=O)OC(C)C |
Product Overview
isopropyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylate (CAS 859667-62-2), with molecular formula C21H24O6 and molecular weight 372.16 g/mol. IUPAC: propan-2-yl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxylate.
Chemical Property Profile of isopropyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylate
Property Insights of isopropyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylate
The XLogP value of 4.08312 indicates that isopropyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-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 isopropyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylate. Following Lipinski's Rule of Five, isopropyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-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 isopropyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylate?
The CAS number of isopropyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylate is 859667-62-2.
What is the molecular formula of isopropyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylate?
The molecular formula of isopropyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylate is C21H24O6.
What is the molecular weight of isopropyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylate?
The molecular weight of isopropyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylate is 372.16 g/mol.
Where can I buy isopropyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylate?
You can request a quote for isopropyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-4,5,6,7-tetrahydrobenzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.