isopropyl 2-(((3-benzoyl-5-hydroxybenzofuran-2-yl)methyl)thio)acetate
TL;DR: isopropyl 2-(((3-benzoyl-5-hydroxybenzofuran-2-yl)methyl)thio)acetate (CAS 328069-58-5) is a chemical compound with molecular formula C21H20O5S and molecular weight 384.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(3-benzoyl-5-hydroxy-1-benzofuran-2-yl)methylsulfanyl]acetate
Also Known As: isopropyl 2-(((3-benzoyl-5-hydroxybenzofuran-2-yl)methyl)thio)acetate, propan-2-yl ({[5-hydroxy-3-(phenylcarbonyl)-1-benzofuran-2-yl]methyl}sulfanyl)acetate, propan-2-yl 2-[(3-benzoyl-5-hydroxy-1-benzofuran-2-yl)methylsulfanyl]acetate
| Molecular Formula | C21H20O5S |
|---|---|
| Molecular Weight | 384.10 g/mol |
| LogP | 4.5542 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.10315 |
| Heavy Atoms | 27 |
| Complexity | 959.3674 |
Chemical Identifiers
| CAS Number | 328069-58-5 |
|---|---|
| SMILES | CC(C)OC(=O)CSCC1=C(C2=C(O1)C=CC(=C2)O)C(=O)C3=CC=CC=C3 |
Product Overview
isopropyl 2-(((3-benzoyl-5-hydroxybenzofuran-2-yl)methyl)thio)acetate (CAS 328069-58-5), with molecular formula C21H20O5S and molecular weight 384.10 g/mol. IUPAC: propan-2-yl 2-[(3-benzoyl-5-hydroxy-1-benzofuran-2-yl)methylsulfanyl]acetate.
Chemical Property Profile of isopropyl 2-(((3-benzoyl-5-hydroxybenzofuran-2-yl)methyl)thio)acetate
Property Insights of isopropyl 2-(((3-benzoyl-5-hydroxybenzofuran-2-yl)methyl)thio)acetate
The XLogP value of 4.5542 indicates that isopropyl 2-(((3-benzoyl-5-hydroxybenzofuran-2-yl)methyl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-(((3-benzoyl-5-hydroxybenzofuran-2-yl)methyl)thio)acetate. Following Lipinski's Rule of Five, isopropyl 2-(((3-benzoyl-5-hydroxybenzofuran-2-yl)methyl)thio)acetate has 1 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 2-(((3-benzoyl-5-hydroxybenzofuran-2-yl)methyl)thio)acetate?
The CAS number of isopropyl 2-(((3-benzoyl-5-hydroxybenzofuran-2-yl)methyl)thio)acetate is 328069-58-5.
What is the molecular formula of isopropyl 2-(((3-benzoyl-5-hydroxybenzofuran-2-yl)methyl)thio)acetate?
The molecular formula of isopropyl 2-(((3-benzoyl-5-hydroxybenzofuran-2-yl)methyl)thio)acetate is C21H20O5S.
What is the molecular weight of isopropyl 2-(((3-benzoyl-5-hydroxybenzofuran-2-yl)methyl)thio)acetate?
The molecular weight of isopropyl 2-(((3-benzoyl-5-hydroxybenzofuran-2-yl)methyl)thio)acetate is 384.10 g/mol.
Where can I buy isopropyl 2-(((3-benzoyl-5-hydroxybenzofuran-2-yl)methyl)thio)acetate?
You can request a quote for isopropyl 2-(((3-benzoyl-5-hydroxybenzofuran-2-yl)methyl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 2-(((3-benzoyl-5-hydroxybenzofuran-2-yl)methyl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-(((3-benzoyl-5-hydroxybenzofuran-2-yl)methyl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.