![2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide structure](/static/products/866/866894-84-0.png)
2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
TL;DR: 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide (CAS 866894-84-0) is a chemical compound with molecular formula C23H22FN3O4S and molecular weight 455.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(3-ethoxypropyl)-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
Also Known As: 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide, F1607-0491, 2-[[3-(3-ethoxypropyl)-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide, 2-{[5-(3-ethoxypropyl)-6-oxo-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl}-N-(2-fluorophenyl)acetamide, 2-((3-(3-ethoxypropyl)-4-oxo-3,4-dihydrobenzofuro[3,2-d]pyrimidin-2-yl)thio)-N-(2-fluorophenyl)acetamide
| Molecular Formula | C23H22FN3O4S |
|---|---|
| Molecular Weight | 455.13 g/mol |
| LogP | 4.4392 |
| Topological Polar Surface Area | 86.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 455.1315 |
| Heavy Atoms | 32 |
| Complexity | 1317.8347 |
Chemical Identifiers
| CAS Number | 866894-84-0 |
|---|---|
| SMILES | CCOCCCN1C(=O)C2=C(C3=CC=CC=C3O2)N=C1SCC(=O)NC4=CC=CC=C4F |
Product Overview
2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide (CAS 866894-84-0), with molecular formula C23H22FN3O4S and molecular weight 455.13 g/mol. IUPAC: 2-[[3-(3-ethoxypropyl)-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.
Chemical Property Profile of 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Property Insights of 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
The XLogP value of 4.4392 indicates that 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide has 1 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 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide?
The CAS number of 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide is 866894-84-0.
What is the molecular formula of 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide?
The molecular formula of 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide is C23H22FN3O4S.
What is the molecular weight of 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide?
The molecular weight of 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide is 455.13 g/mol.
Where can I buy 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide?
You can request a quote for 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.