![2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)ethanol structure](/static/products/845/845666-47-9.png)
2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)ethanol
TL;DR: 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)ethanol (CAS 845666-47-9) is a chemical compound with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanol
Also Known As: 2-((2-methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)ethanol, VU0212133-5, 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanol, 2-({4-methyl-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl}sulfanyl)ethan-1-ol, 2-[(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanol
| Molecular Formula | C13H12N2O2S |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.06195 |
| Heavy Atoms | 18 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 845666-47-9 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SCCO)OC3=CC=CC=C32 |
| InChIKey | NBCRNIQKFWHESW-UHFFFAOYSA-N |
Product Overview
2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)ethanol (CAS 845666-47-9), with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol. IUPAC: 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanol.
Chemical Property Profile of 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)ethanol
Property Insights of 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)ethanol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)ethanol. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)ethanol. Following Lipinski's Rule of Five, 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)ethanol 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-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)ethanol?
The CAS number of 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)ethanol is 845666-47-9.
What is the molecular formula of 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)ethanol?
The molecular formula of 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)ethanol is C13H12N2O2S.
What is the molecular weight of 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)ethanol?
The molecular weight of 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)ethanol is 260.06 g/mol.
Where can I buy 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)ethanol?
You can request a quote for 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.