![2-[(2-Methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetonitrile structure](/static/products/844/844654-39-3.png)
2-[(2-Methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetonitrile
TL;DR: 2-[(2-Methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetonitrile (CAS 844654-39-3) is a chemical compound with molecular formula C13H9N3OS and molecular weight 255.05 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]acetonitrile
Also Known As: UPCMLD0ENAT5792093:001, 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetonitrile, 2-((2-methylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetonitrile, [(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetonitrile
| Molecular Formula | C13H9N3OS |
|---|---|
| Molecular Weight | 255.05 g/mol |
| LogP | 3.3001 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.04663 |
| Heavy Atoms | 18 |
| Complexity | 772.8382 |
Chemical Identifiers
| CAS Number | 844654-39-3 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SCC#N)OC3=CC=CC=C32 |
Product Overview
2-[(2-Methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetonitrile (CAS 844654-39-3), with molecular formula C13H9N3OS and molecular weight 255.05 g/mol. IUPAC: 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetonitrile.
Chemical Property Profile of 2-[(2-Methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetonitrile
Property Insights of 2-[(2-Methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetonitrile
The XLogP value of 3.3001 indicates that 2-[(2-Methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetonitrile. Following Lipinski's Rule of Five, 2-[(2-Methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetonitrile 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 2-[(2-Methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetonitrile?
The CAS number of 2-[(2-Methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetonitrile is 844654-39-3.
What is the molecular formula of 2-[(2-Methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetonitrile?
The molecular formula of 2-[(2-Methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetonitrile is C13H9N3OS.
What is the molecular weight of 2-[(2-Methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetonitrile?
The molecular weight of 2-[(2-Methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetonitrile is 255.05 g/mol.
Where can I buy 2-[(2-Methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetonitrile?
You can request a quote for 2-[(2-Methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.