3-(1-Benzofuran-6-yloxy)propanenitrile
TL;DR: 3-(1-Benzofuran-6-yloxy)propanenitrile (CAS 57927-02-3) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-6-yloxy)propanenitrile
Also Known As: 3-(1-benzofuran-6-yloxy)propanenitrile, 3-benzofuran-6-yloxy-propionitrile, 3-benzofuran-6-yloxypropanenitrile
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 2.72528 |
| Topological Polar Surface Area | 46.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 467.33743 |
Chemical Identifiers
| CAS Number | 57927-02-3 |
|---|---|
| SMILES | C1=CC(=CC2=C1C=CO2)OCCC#N |
Product Overview
3-(1-Benzofuran-6-yloxy)propanenitrile (CAS 57927-02-3), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: 3-(1-benzofuran-6-yloxy)propanenitrile.
Chemical Property Profile of 3-(1-Benzofuran-6-yloxy)propanenitrile
Property Insights of 3-(1-Benzofuran-6-yloxy)propanenitrile
The XLogP value of 2.72528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-Benzofuran-6-yloxy)propanenitrile. With a topological polar surface area (TPSA) of 46.16 Ų, 3-(1-Benzofuran-6-yloxy)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Benzofuran-6-yloxy)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-(1-Benzofuran-6-yloxy)propanenitrile?
The CAS number of 3-(1-Benzofuran-6-yloxy)propanenitrile is 57927-02-3.
What is the molecular formula of 3-(1-Benzofuran-6-yloxy)propanenitrile?
The molecular formula of 3-(1-Benzofuran-6-yloxy)propanenitrile is C11H9NO2.
What is the molecular weight of 3-(1-Benzofuran-6-yloxy)propanenitrile?
The molecular weight of 3-(1-Benzofuran-6-yloxy)propanenitrile is 187.06 g/mol.
Where can I buy 3-(1-Benzofuran-6-yloxy)propanenitrile?
You can request a quote for 3-(1-Benzofuran-6-yloxy)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Benzofuran-6-yloxy)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Benzofuran-6-yloxy)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.