![2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide structure](/static/products/716/716331-08-7.png)
2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide
TL;DR: 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide (CAS 716331-08-7) is a chemical compound with molecular formula C20H16N4O4S and molecular weight 408.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Also Known As: 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide, 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(4-nitrophenyl)acetamide, 2-[(2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
| Molecular Formula | C20H16N4O4S |
|---|---|
| Molecular Weight | 408.09 g/mol |
| LogP | 4.5774 |
| Topological Polar Surface Area | 111.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.08923 |
| Heavy Atoms | 29 |
| Complexity | 1220.597 |
Chemical Identifiers
| CAS Number | 716331-08-7 |
|---|---|
| SMILES | CCC1=NC2=C(C(=N1)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])OC4=CC=CC=C42 |
Product Overview
2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide (CAS 716331-08-7), with molecular formula C20H16N4O4S and molecular weight 408.09 g/mol. IUPAC: 2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide
Property Insights of 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide
The XLogP value of 4.5774 indicates that 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide has 1 hydrogen bond donor(s) and 7 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 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide?
The CAS number of 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide is 716331-08-7.
What is the molecular formula of 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide?
The molecular formula of 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide is C20H16N4O4S.
What is the molecular weight of 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide?
The molecular weight of 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide is 408.09 g/mol.
Where can I buy 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide?
You can request a quote for 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.