![Ethyl 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetate structure](/static/products/877/877803-13-9.png)
Ethyl 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetate
TL;DR: Ethyl 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetate (CAS 877803-13-9) is a chemical compound with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate
Also Known As: UPCMLD0ENAT5792054:001, ethyl 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetate, ethyl [(2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate, ethyl 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate
| Molecular Formula | C16H16N2O3S |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 3.5936 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.08817 |
| Heavy Atoms | 22 |
| Complexity | 828.7304 |
Chemical Identifiers
| CAS Number | 877803-13-9 |
|---|---|
| SMILES | CCC1=NC2=C(C(=N1)SCC(=O)OCC)OC3=CC=CC=C32 |
Product Overview
Ethyl 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetate (CAS 877803-13-9), with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol. IUPAC: ethyl 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetate
Property Insights of Ethyl 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetate
The XLogP value of 3.5936 indicates that Ethyl 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetate 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 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetate. Following Lipinski's Rule of Five, Ethyl 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)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 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetate?
The CAS number of Ethyl 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetate is 877803-13-9.
What is the molecular formula of Ethyl 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetate?
The molecular formula of Ethyl 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetate is C16H16N2O3S.
What is the molecular weight of Ethyl 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetate?
The molecular weight of Ethyl 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetate is 316.09 g/mol.
Where can I buy Ethyl 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetate?
You can request a quote for Ethyl 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.