3-(Furfuryloxy)propiononitrile
TL;DR: 3-(Furfuryloxy)propiononitrile (CAS 42839-13-4) is a chemical compound with molecular formula C8H9NO2 and molecular weight 151.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-ylmethoxy)propanenitrile
Also Known As: Dimetotiazine, 3-(Furfuryloxy)propiononitrile, 3- propiononitrile, 3-(2-furylmethoxy)propanenitrile, EINECS 255-964-7
| Molecular Formula | C8H9NO2 |
|---|---|
| Molecular Weight | 151.06 g/mol |
| LogP | 1.70988 |
| Topological Polar Surface Area | 46.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 151.06332 |
| Heavy Atoms | 11 |
| Complexity | 222.74014 |
Chemical Identifiers
| CAS Number | 42839-13-4 |
|---|---|
| SMILES | C1=COC(=C1)COCCC#N |
Product Overview
3-(Furfuryloxy)propiononitrile (CAS 42839-13-4), with molecular formula C8H9NO2 and molecular weight 151.06 g/mol. IUPAC: 3-(furan-2-ylmethoxy)propanenitrile.
Chemical Property Profile of 3-(Furfuryloxy)propiononitrile
Property Insights of 3-(Furfuryloxy)propiononitrile
The XLogP value of 1.70988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Furfuryloxy)propiononitrile. With a topological polar surface area (TPSA) of 46.16 Ų, 3-(Furfuryloxy)propiononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Furfuryloxy)propiononitrile 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-(Furfuryloxy)propiononitrile?
The CAS number of 3-(Furfuryloxy)propiononitrile is 42839-13-4.
What is the molecular formula of 3-(Furfuryloxy)propiononitrile?
The molecular formula of 3-(Furfuryloxy)propiononitrile is C8H9NO2.
What is the molecular weight of 3-(Furfuryloxy)propiononitrile?
The molecular weight of 3-(Furfuryloxy)propiononitrile is 151.06 g/mol.
Where can I buy 3-(Furfuryloxy)propiononitrile?
You can request a quote for 3-(Furfuryloxy)propiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Furfuryloxy)propiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Furfuryloxy)propiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.