![Ethyl [(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate structure](/static/products/128/128409-10-9.png)
Ethyl [(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate
TL;DR: Ethyl [(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate (CAS 128409-10-9) is a chemical compound with molecular formula C13H12O4S and molecular weight 264.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate
Also Known As: ethyl 2-((3-formylbenzofuran-2-yl)thio)acetate, ethyl [(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate, ethyl 2-[(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate
| Molecular Formula | C13H12O4S |
|---|---|
| Molecular Weight | 264.05 g/mol |
| LogP | 2.9005 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.04562 |
| Heavy Atoms | 18 |
| Complexity | 573.375 |
Chemical Identifiers
| CAS Number | 128409-10-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C2=CC=CC=C2O1)C=O |
Product Overview
Ethyl [(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate (CAS 128409-10-9), with molecular formula C13H12O4S and molecular weight 264.05 g/mol. IUPAC: ethyl 2-[(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate.
Chemical Property Profile of Ethyl [(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate
Property Insights of Ethyl [(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate
The XLogP value of 2.9005 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate. With a topological polar surface area (TPSA) of 56.51 Ų, Ethyl [(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl [(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate 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 Ethyl [(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate?
The CAS number of Ethyl [(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate is 128409-10-9.
What is the molecular formula of Ethyl [(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate?
The molecular formula of Ethyl [(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate is C13H12O4S.
What is the molecular weight of Ethyl [(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate?
The molecular weight of Ethyl [(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate is 264.05 g/mol.
Where can I buy Ethyl [(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate?
You can request a quote for Ethyl [(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(3-formyl-1-benzofuran-2-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.