![ethyl (2E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate structure](/static/products/848/848740-74-9.png)
ethyl (2E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate
TL;DR: ethyl (2E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate (CAS 848740-74-9) is a chemical compound with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate
Also Known As: (E)-ethyl 4-(benzofuro[3,2-d]pyrimidin-4-ylthio)but-2-enoate, ethyl (2E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate, ethyl (E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate
| Molecular Formula | C16H14N2O3S |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 3.5874 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.0725 |
| Heavy Atoms | 22 |
| Complexity | 841.64465 |
Chemical Identifiers
| CAS Number | 848740-74-9 |
|---|---|
| SMILES | CCOC(=O)/C=C/CSC1=NC=NC2=C1OC3=CC=CC=C32 |
Product Overview
ethyl (2E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate (CAS 848740-74-9), with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol. IUPAC: ethyl (E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate.
Chemical Property Profile of ethyl (2E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate
Property Insights of ethyl (2E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate
The XLogP value of 3.5874 indicates that ethyl (2E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate. Following Lipinski's Rule of Five, ethyl (2E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate 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 (2E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate?
The CAS number of ethyl (2E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate is 848740-74-9.
What is the molecular formula of ethyl (2E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate?
The molecular formula of ethyl (2E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate is C16H14N2O3S.
What is the molecular weight of ethyl (2E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate?
The molecular weight of ethyl (2E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate is 314.07 g/mol.
Where can I buy ethyl (2E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate?
You can request a quote for ethyl (2E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-4-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.