Propan-2-yl 2-methyl-5-(4-methylbenzoyl)oxy-1-benzofuran-3-carboxylate
TL;DR: Propan-2-yl 2-methyl-5-(4-methylbenzoyl)oxy-1-benzofuran-3-carboxylate (CAS 300557-44-2) is a chemical compound with molecular formula C21H20O5 and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-methyl-5-(4-methylbenzoyl)oxy-1-benzofuran-3-carboxylate
Also Known As: propan-2-yl 2-methyl-5-(4-methylbenzoyl)oxy-1-benzofuran-3-carboxylate, 2-methyl-3-[(methylethyl)oxycarbonyl]benzo[b]furan-5-yl 4-methylbenzoate, isopropyl 2-methyl-5-((4-methylbenzoyl)oxy)benzofuran-3-carboxylate, isopropyl 2-methyl-5-[(4-methylbenzoyl)oxy]-1-benzofuran-3-carboxylate, propan-2-yl 2-methyl-5-[(4-methylphenyl)carbonyloxy]-1-benzofuran-3-carboxylate
| Molecular Formula | C21H20O5 |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 4.83404 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.13107 |
| Heavy Atoms | 26 |
| Complexity | 963.98016 |
Chemical Identifiers
| CAS Number | 300557-44-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)OC(=C3C(=O)OC(C)C)C |
Product Overview
Propan-2-yl 2-methyl-5-(4-methylbenzoyl)oxy-1-benzofuran-3-carboxylate (CAS 300557-44-2), with molecular formula C21H20O5 and molecular weight 352.13 g/mol. IUPAC: propan-2-yl 2-methyl-5-(4-methylbenzoyl)oxy-1-benzofuran-3-carboxylate.
Chemical Property Profile of Propan-2-yl 2-methyl-5-(4-methylbenzoyl)oxy-1-benzofuran-3-carboxylate
Property Insights of Propan-2-yl 2-methyl-5-(4-methylbenzoyl)oxy-1-benzofuran-3-carboxylate
The XLogP value of 4.83404 indicates that Propan-2-yl 2-methyl-5-(4-methylbenzoyl)oxy-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 2-methyl-5-(4-methylbenzoyl)oxy-1-benzofuran-3-carboxylate. Following Lipinski's Rule of Five, Propan-2-yl 2-methyl-5-(4-methylbenzoyl)oxy-1-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 Propan-2-yl 2-methyl-5-(4-methylbenzoyl)oxy-1-benzofuran-3-carboxylate?
The CAS number of Propan-2-yl 2-methyl-5-(4-methylbenzoyl)oxy-1-benzofuran-3-carboxylate is 300557-44-2.
What is the molecular formula of Propan-2-yl 2-methyl-5-(4-methylbenzoyl)oxy-1-benzofuran-3-carboxylate?
The molecular formula of Propan-2-yl 2-methyl-5-(4-methylbenzoyl)oxy-1-benzofuran-3-carboxylate is C21H20O5.
What is the molecular weight of Propan-2-yl 2-methyl-5-(4-methylbenzoyl)oxy-1-benzofuran-3-carboxylate?
The molecular weight of Propan-2-yl 2-methyl-5-(4-methylbenzoyl)oxy-1-benzofuran-3-carboxylate is 352.13 g/mol.
Where can I buy Propan-2-yl 2-methyl-5-(4-methylbenzoyl)oxy-1-benzofuran-3-carboxylate?
You can request a quote for Propan-2-yl 2-methyl-5-(4-methylbenzoyl)oxy-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 2-methyl-5-(4-methylbenzoyl)oxy-1-benzofuran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 2-methyl-5-(4-methylbenzoyl)oxy-1-benzofuran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.