2-Benzofurancarbonitrile
TL;DR: 2-Benzofurancarbonitrile (CAS 41717-32-2) is a chemical compound with molecular formula C9H5NO and molecular weight 143.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzofuran-2-carbonitrile
Also Known As: 1-benzofuran-2-carbonitrile, 2-Cyanobenzofuran, benzofuran-2-carbonitrile, Coumarilonitrile, cyano-benzofuran
| Molecular Formula | C9H5NO |
|---|---|
| Molecular Weight | 143.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.03711 |
| Heavy Atoms | 11 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 41717-32-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(O2)C#N |
| InChIKey | ZQGAXHXHVKVERC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzofurancarbonitrile (CAS 41717-32-2), with molecular formula C9H5NO and molecular weight 143.04 g/mol. IUPAC: 1-benzofuran-2-carbonitrile.
Chemical Property Profile of 2-Benzofurancarbonitrile
Property Insights of 2-Benzofurancarbonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzofurancarbonitrile. With a topological polar surface area (TPSA) of 36.9 Ų, 2-Benzofurancarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzofurancarbonitrile has 0 hydrogen bond donor(s) and 2 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 2-Benzofurancarbonitrile?
The CAS number of 2-Benzofurancarbonitrile is 41717-32-2.
What is the molecular formula of 2-Benzofurancarbonitrile?
The molecular formula of 2-Benzofurancarbonitrile is C9H5NO.
What is the molecular weight of 2-Benzofurancarbonitrile?
The molecular weight of 2-Benzofurancarbonitrile is 143.04 g/mol.
Where can I buy 2-Benzofurancarbonitrile?
You can request a quote for 2-Benzofurancarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzofurancarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzofurancarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.