3-(Oxolan-2-ylmethoxy)propanenitrile
TL;DR: 3-(Oxolan-2-ylmethoxy)propanenitrile (CAS 5338-10-3) is a chemical compound with molecular formula C8H13NO2 and molecular weight 155.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(oxolan-2-ylmethoxy)propanenitrile
Also Known As: 3-(oxolan-2-ylmethoxy)propanenitrile, 3-((Tetrahydrofurfuryl)oxy)propiononitrile, 3-(tetrahydrofuran-2-ylmethoxy)propanenitrile, 3-[(oxolan-2-yl)methoxy]propanenitrile, Propanenitrile, 3-((tetrahydro-2-furanyl)methoxy)-
| Molecular Formula | C8H13NO2 |
|---|---|
| Molecular Weight | 155.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 155.09464 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 5338-10-3 |
|---|---|
| SMILES | C1CC(OC1)COCCC#N |
| InChIKey | SXCCMCCJGSXUML-UHFFFAOYSA-N |
Product Overview
3-(Oxolan-2-ylmethoxy)propanenitrile (CAS 5338-10-3), with molecular formula C8H13NO2 and molecular weight 155.09 g/mol. IUPAC: 3-(oxolan-2-ylmethoxy)propanenitrile.
Chemical Property Profile of 3-(Oxolan-2-ylmethoxy)propanenitrile
Property Insights of 3-(Oxolan-2-ylmethoxy)propanenitrile
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Oxolan-2-ylmethoxy)propanenitrile. With a topological polar surface area (TPSA) of 42.3 Ų, 3-(Oxolan-2-ylmethoxy)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Oxolan-2-ylmethoxy)propanenitrile 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 3-(Oxolan-2-ylmethoxy)propanenitrile?
The CAS number of 3-(Oxolan-2-ylmethoxy)propanenitrile is 5338-10-3.
What is the molecular formula of 3-(Oxolan-2-ylmethoxy)propanenitrile?
The molecular formula of 3-(Oxolan-2-ylmethoxy)propanenitrile is C8H13NO2.
What is the molecular weight of 3-(Oxolan-2-ylmethoxy)propanenitrile?
The molecular weight of 3-(Oxolan-2-ylmethoxy)propanenitrile is 155.09 g/mol.
Where can I buy 3-(Oxolan-2-ylmethoxy)propanenitrile?
You can request a quote for 3-(Oxolan-2-ylmethoxy)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Oxolan-2-ylmethoxy)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Oxolan-2-ylmethoxy)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.