(Tetrahydro-pyran-2-yloxy)-acetonitrile
TL;DR: (Tetrahydro-pyran-2-yloxy)-acetonitrile (CAS 17521-49-2) is a chemical compound with molecular formula C7H11NO2 and molecular weight 141.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(oxan-2-yloxy)acetonitrile
Also Known As: (TETRAHYDRO-PYRAN-2-YLOXY)-ACETONITRILE, 2-(oxan-2-yloxy)acetonitrile, 2-(Cyanomethoxy)tetrahydropyran, 2-((Tetrahydro-2H-pyran-2-yl)oxy)acetonitrile, [(Oxan-2-yl)oxy]acetonitrile
| Molecular Formula | C7H11NO2 |
|---|---|
| Molecular Weight | 141.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.07898 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 17521-49-2 |
|---|---|
| SMILES | C1CCOC(C1)OCC#N |
| InChIKey | YADWCNNOFHOBBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Tetrahydro-pyran-2-yloxy)-acetonitrile (CAS 17521-49-2), with molecular formula C7H11NO2 and molecular weight 141.08 g/mol. IUPAC: 2-(oxan-2-yloxy)acetonitrile.
Chemical Property Profile of (Tetrahydro-pyran-2-yloxy)-acetonitrile
Property Insights of (Tetrahydro-pyran-2-yloxy)-acetonitrile
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Tetrahydro-pyran-2-yloxy)-acetonitrile. With a topological polar surface area (TPSA) of 42.3 Ų, (Tetrahydro-pyran-2-yloxy)-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Tetrahydro-pyran-2-yloxy)-acetonitrile has 0 hydrogen bond donor(s) and 3 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 (Tetrahydro-pyran-2-yloxy)-acetonitrile?
The CAS number of (Tetrahydro-pyran-2-yloxy)-acetonitrile is 17521-49-2.
What is the molecular formula of (Tetrahydro-pyran-2-yloxy)-acetonitrile?
The molecular formula of (Tetrahydro-pyran-2-yloxy)-acetonitrile is C7H11NO2.
What is the molecular weight of (Tetrahydro-pyran-2-yloxy)-acetonitrile?
The molecular weight of (Tetrahydro-pyran-2-yloxy)-acetonitrile is 141.08 g/mol.
Where can I buy (Tetrahydro-pyran-2-yloxy)-acetonitrile?
You can request a quote for (Tetrahydro-pyran-2-yloxy)-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Tetrahydro-pyran-2-yloxy)-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Tetrahydro-pyran-2-yloxy)-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.