4-(Methylthio)benzofuro(3,2-d)pyrimidine
TL;DR: 4-(Methylthio)benzofuro(3,2-d)pyrimidine (CAS 62208-71-3) is a chemical compound with molecular formula C11H8N2OS and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-[1]benzofuro[3,2-d]pyrimidine
Also Known As: 4-(methylthio)benzofuro[3,2-d]pyrimidine, IFLab1_002581, 4-(Methylthio)benzofuro(3,2-d)pyrimidine, 4-methylsulfanyl-[1]benzofuro[3,2-d]pyrimidine, 4-(methylsulfanyl)[1]benzofuro[3,2-d]pyrimidine
| Molecular Formula | C11H8N2OS |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 3.0979 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.03574 |
| Heavy Atoms | 15 |
| Complexity | 632.6063 |
Chemical Identifiers
| CAS Number | 62208-71-3 |
|---|---|
| SMILES | CSC1=NC=NC2=C1OC3=CC=CC=C32 |
Product Overview
4-(Methylthio)benzofuro(3,2-d)pyrimidine (CAS 62208-71-3), with molecular formula C11H8N2OS and molecular weight 216.04 g/mol. IUPAC: 4-methylsulfanyl-[1]benzofuro[3,2-d]pyrimidine.
Chemical Property Profile of 4-(Methylthio)benzofuro(3,2-d)pyrimidine
Property Insights of 4-(Methylthio)benzofuro(3,2-d)pyrimidine
The XLogP value of 3.0979 indicates that 4-(Methylthio)benzofuro(3,2-d)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.92 Ų, 4-(Methylthio)benzofuro(3,2-d)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Methylthio)benzofuro(3,2-d)pyrimidine has 0 hydrogen bond donor(s) and 4 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-(Methylthio)benzofuro(3,2-d)pyrimidine?
The CAS number of 4-(Methylthio)benzofuro(3,2-d)pyrimidine is 62208-71-3.
What is the molecular formula of 4-(Methylthio)benzofuro(3,2-d)pyrimidine?
The molecular formula of 4-(Methylthio)benzofuro(3,2-d)pyrimidine is C11H8N2OS.
What is the molecular weight of 4-(Methylthio)benzofuro(3,2-d)pyrimidine?
The molecular weight of 4-(Methylthio)benzofuro(3,2-d)pyrimidine is 216.04 g/mol.
Where can I buy 4-(Methylthio)benzofuro(3,2-d)pyrimidine?
You can request a quote for 4-(Methylthio)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-(Methylthio)benzofuro(3,2-d)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylthio)benzofuro(3,2-d)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.