![2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile structure](/static/products/3391/339105-55-4.webp)
2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile
TL;DR: 2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile (CAS 339105-55-4) is a chemical compound with molecular formula C12H9N3O and molecular weight 211.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-pyrimidin-2-yloxyphenyl)acetonitrile
Also Known As: 2-[4-(2-pyrimidinyloxy)phenyl]acetonitrile, 2-[4-(pyrimidin-2-yloxy)phenyl]acetonitrile, 2-(4-pyrimidin-2-yloxyphenyl)acetonitrile, pyrimidinyloxyphenylacetonitrile, 2-(4-(Pyrimidin-2-yloxy)phenyl)acetonitrile
| Molecular Formula | C12H9N3O |
|---|---|
| Molecular Weight | 211.07 g/mol |
| LogP | 2.33498 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.07455 |
| Heavy Atoms | 16 |
| Complexity | 487.92236 |
Chemical Identifiers
| CAS Number | 339105-55-4 |
|---|---|
| SMILES | C1=CN=C(N=C1)OC2=CC=C(C=C2)CC#N |
Product Overview
2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile (CAS 339105-55-4), with molecular formula C12H9N3O and molecular weight 211.07 g/mol. IUPAC: 2-(4-pyrimidin-2-yloxyphenyl)acetonitrile.
Chemical Property Profile of 2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile
Property Insights of 2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile
The XLogP value of 2.33498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile. With a topological polar surface area (TPSA) of 58.8 Ų, 2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile 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 2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile?
The CAS number of 2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile is 339105-55-4.
What is the molecular formula of 2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile?
The molecular formula of 2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile is C12H9N3O.
What is the molecular weight of 2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile?
The molecular weight of 2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile is 211.07 g/mol.
Where can I buy 2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile?
You can request a quote for 2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(2-Pyrimidinyloxy)phenyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.