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Ethyl ([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate
TL;DR: Ethyl ([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate (CAS 294875-06-2) is a chemical compound with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate
Also Known As: IFLab1_002801, BAS 01508079, Ethyl ([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate, ethyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate, ethyl 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)acetate
| Molecular Formula | C14H12N2O3S |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.05685 |
| Heavy Atoms | 20 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 294875-06-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC=NC2=C1OC3=CC=CC=C32 |
| InChIKey | UNHOPJWBHNREQS-UHFFFAOYSA-N |
Product Overview
Ethyl ([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate (CAS 294875-06-2), with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol. IUPAC: ethyl 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate.
Chemical Property Profile of Ethyl ([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate
Property Insights of Ethyl ([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate
The XLogP value of 3.2 indicates that Ethyl ([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl ([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate. Following Lipinski's Rule of Five, Ethyl ([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate 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 Ethyl ([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate?
The CAS number of Ethyl ([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate is 294875-06-2.
What is the molecular formula of Ethyl ([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate?
The molecular formula of Ethyl ([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate is C14H12N2O3S.
What is the molecular weight of Ethyl ([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate?
The molecular weight of Ethyl ([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate is 288.06 g/mol.
Where can I buy Ethyl ([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate?
You can request a quote for Ethyl ([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl ([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl ([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.