2-(4-Methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile
TL;DR: 2-(4-Methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile (CAS 300586-63-4) is a chemical compound with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile
Also Known As: 2-(4-methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile, [(4-methyl-6-phenoxy-2-pyrimidinyl)oxy]acetonitrile, [(4-methyl-6-phenoxypyrimidin-2-yl)oxy]acetonitrile
| Molecular Formula | C13H11N3O2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 2.4797 |
| Topological Polar Surface Area | 68.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.08513 |
| Heavy Atoms | 18 |
| Complexity | 564.1942 |
Chemical Identifiers
| CAS Number | 300586-63-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)OCC#N)OC2=CC=CC=C2 |
Product Overview
2-(4-Methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile (CAS 300586-63-4), with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol. IUPAC: 2-(4-methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile.
Chemical Property Profile of 2-(4-Methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile
Property Insights of 2-(4-Methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile
The XLogP value of 2.4797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile. The TPSA of 68.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile. Following Lipinski's Rule of Five, 2-(4-Methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile 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-(4-Methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile?
The CAS number of 2-(4-Methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile is 300586-63-4.
What is the molecular formula of 2-(4-Methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile?
The molecular formula of 2-(4-Methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile is C13H11N3O2.
What is the molecular weight of 2-(4-Methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile?
The molecular weight of 2-(4-Methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile is 241.09 g/mol.
Where can I buy 2-(4-Methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile?
You can request a quote for 2-(4-Methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methyl-6-phenoxypyrimidin-2-yl)oxyacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.