![2-[3-(4-Cyanophenoxy)-1-propynyl]-Adenosine structure](/static/products/313/313345-41-4.png)
2-[3-(4-Cyanophenoxy)-1-propynyl]-Adenosine
4-[3-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]prop-2-ynoxy]benzonitrile
Also Known As: 2-[3-(4-Cyanophenoxy)-1-propynyl]-Adenosine
CAS: 313345-41-4
| Molecular Formula | C20H18N6O5 |
|---|---|
| Molecular Weight | 422.13388 g/mol |
| LogP | -0.67782 |
| Topological Polar Surface Area | 172.56 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.13388 |
| Monoisotopic Mass | 422.13388 |
| Heavy Atoms | 31 |
| Complexity | 1192.9664 |
Chemical Identifiers
| CAS Number | 313345-41-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)OCC#CC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N |
Product Overview
2-[3-(4-Cyanophenoxy)-1-propynyl]-Adenosine (CAS 313345-41-4), with molecular formula C20H18N6O5 and molecular weight 422.13388 g/mol. IUPAC: 4-[3-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]prop-2-ynoxy]benzonitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
2-[3-(4-Cyanophenoxy)-1-propynyl]-Adenosine is a custom synthesis product. We offer services from milligram to kilogram scale.
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