![2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(3-chlorophenyl)acetamide structure](/static/products/844/844461-86-5.png)
2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(3-chlorophenyl)acetamide
TL;DR: 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(3-chlorophenyl)acetamide (CAS 844461-86-5) is a chemical compound with molecular formula C18H12ClN3O2S and molecular weight 369.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-chlorophenyl)acetamide
Also Known As: 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(3-chlorophenyl)acetamide, 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-chlorophenyl)acetamide, N-(3-chlorophenyl)-2-{8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-ylsulfanyl}acetamide
| Molecular Formula | C18H12ClN3O2S |
|---|---|
| Molecular Weight | 369.03 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.03387 |
| Heavy Atoms | 25 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 844461-86-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC(=O)NC4=CC(=CC=C4)Cl |
| InChIKey | FPIYFFSQZMMSAH-UHFFFAOYSA-N |
Product Overview
2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(3-chlorophenyl)acetamide (CAS 844461-86-5), with molecular formula C18H12ClN3O2S and molecular weight 369.03 g/mol. IUPAC: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(3-chlorophenyl)acetamide.
Chemical Property Profile of 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(3-chlorophenyl)acetamide
Property Insights of 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(3-chlorophenyl)acetamide
The XLogP value of 4.4 indicates that 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(3-chlorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(3-chlorophenyl)acetamide. Following Lipinski's Rule of Five, 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(3-chlorophenyl)acetamide has 1 hydrogen bond donor(s) and 5 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-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(3-chlorophenyl)acetamide?
The CAS number of 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(3-chlorophenyl)acetamide is 844461-86-5.
What is the molecular formula of 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(3-chlorophenyl)acetamide?
The molecular formula of 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(3-chlorophenyl)acetamide is C18H12ClN3O2S.
What is the molecular weight of 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(3-chlorophenyl)acetamide?
The molecular weight of 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(3-chlorophenyl)acetamide is 369.03 g/mol.
Where can I buy 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(3-chlorophenyl)acetamide?
You can request a quote for 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(3-chlorophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(3-chlorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(3-chlorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.