![4-{[2-(Methylsulfanyl)-4-pyrimidinyl]oxy}benzonitrile structure](/static/products/353/353259-28-6.png)
4-{[2-(Methylsulfanyl)-4-pyrimidinyl]oxy}benzonitrile
TL;DR: 4-{[2-(Methylsulfanyl)-4-pyrimidinyl]oxy}benzonitrile (CAS 353259-28-6) is a chemical compound with molecular formula C12H9N3OS and molecular weight 243.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylsulfanylpyrimidin-4-yl)oxybenzonitrile
Also Known As: 4-(2-methylsulfanylpyrimidin-4-yl)oxybenzonitrile, 4-{[2-(methylsulfanyl)-4-pyrimidinyl]oxy}benzonitrile, AI-204/31715007
| Molecular Formula | C12H9N3OS |
|---|---|
| Molecular Weight | 243.05 g/mol |
| LogP | 2.86248 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.04663 |
| Heavy Atoms | 17 |
| Complexity | 548.42236 |
Chemical Identifiers
| CAS Number | 353259-28-6 |
|---|---|
| SMILES | CSC1=NC=CC(=N1)OC2=CC=C(C=C2)C#N |
Product Overview
4-{[2-(Methylsulfanyl)-4-pyrimidinyl]oxy}benzonitrile (CAS 353259-28-6), with molecular formula C12H9N3OS and molecular weight 243.05 g/mol. IUPAC: 4-(2-methylsulfanylpyrimidin-4-yl)oxybenzonitrile.
Chemical Property Profile of 4-{[2-(Methylsulfanyl)-4-pyrimidinyl]oxy}benzonitrile
Property Insights of 4-{[2-(Methylsulfanyl)-4-pyrimidinyl]oxy}benzonitrile
The XLogP value of 2.86248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[2-(Methylsulfanyl)-4-pyrimidinyl]oxy}benzonitrile. With a topological polar surface area (TPSA) of 58.8 Ų, 4-{[2-(Methylsulfanyl)-4-pyrimidinyl]oxy}benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[2-(Methylsulfanyl)-4-pyrimidinyl]oxy}benzonitrile 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-{[2-(Methylsulfanyl)-4-pyrimidinyl]oxy}benzonitrile?
The CAS number of 4-{[2-(Methylsulfanyl)-4-pyrimidinyl]oxy}benzonitrile is 353259-28-6.
What is the molecular formula of 4-{[2-(Methylsulfanyl)-4-pyrimidinyl]oxy}benzonitrile?
The molecular formula of 4-{[2-(Methylsulfanyl)-4-pyrimidinyl]oxy}benzonitrile is C12H9N3OS.
What is the molecular weight of 4-{[2-(Methylsulfanyl)-4-pyrimidinyl]oxy}benzonitrile?
The molecular weight of 4-{[2-(Methylsulfanyl)-4-pyrimidinyl]oxy}benzonitrile is 243.05 g/mol.
Where can I buy 4-{[2-(Methylsulfanyl)-4-pyrimidinyl]oxy}benzonitrile?
You can request a quote for 4-{[2-(Methylsulfanyl)-4-pyrimidinyl]oxy}benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[2-(Methylsulfanyl)-4-pyrimidinyl]oxy}benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-{[2-(Methylsulfanyl)-4-pyrimidinyl]oxy}benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.