![4-((3-Fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine structure](/static/products/847/847182-13-2.png)
4-((3-Fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine
TL;DR: 4-((3-Fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine (CAS 847182-13-2) is a chemical compound with molecular formula C17H11FN2OS and molecular weight 310.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-fluorophenyl)methylsulfanyl]-[1]benzofuro[3,2-d]pyrimidine
Also Known As: 4-((3-fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine, 4-[(3-fluorobenzyl)sulfanyl][1]benzofuro[3,2-d]pyrimidine, 4-[(3-fluorophenyl)methylsulfanyl]-[1]benzofuro[3,2-d]pyrimidine, 6-{[(3-fluorophenyl)methyl]sulfanyl}-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene
| Molecular Formula | C17H11FN2OS |
|---|---|
| Molecular Weight | 310.06 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.05762 |
| Heavy Atoms | 22 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 847182-13-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC4=CC(=CC=C4)F |
| InChIKey | JNOVSMUYAXWARW-UHFFFAOYSA-N |
Product Overview
4-((3-Fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine (CAS 847182-13-2), with molecular formula C17H11FN2OS and molecular weight 310.06 g/mol. IUPAC: 4-[(3-fluorophenyl)methylsulfanyl]-[1]benzofuro[3,2-d]pyrimidine.
Chemical Property Profile of 4-((3-Fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine
Property Insights of 4-((3-Fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine
The XLogP value of 4.5 indicates that 4-((3-Fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3-Fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine. Following Lipinski's Rule of Five, 4-((3-Fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine has 0 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 4-((3-Fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine?
The CAS number of 4-((3-Fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine is 847182-13-2.
What is the molecular formula of 4-((3-Fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine?
The molecular formula of 4-((3-Fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine is C17H11FN2OS.
What is the molecular weight of 4-((3-Fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine?
The molecular weight of 4-((3-Fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine is 310.06 g/mol.
Where can I buy 4-((3-Fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine?
You can request a quote for 4-((3-Fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((3-Fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-Fluorobenzyl)thio)benzofuro[3,2-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.