3-Hydroxy-1-benzofuran-2-carbonitrile
TL;DR: 3-Hydroxy-1-benzofuran-2-carbonitrile (CAS 57477-68-6) is a chemical compound with molecular formula C9H5NO2 and molecular weight 159.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-1-benzofuran-2-carbonitrile
Also Known As: 3-hydroxy-1-benzofuran-2-carbonitrile, 2-Benzofurancarbonitrile, 3-hydroxy-, 3-Hydroxybenzofuran-2-carbonitrile, cyano-2 hydroxy-3 benzofuranne, 2-Benzofurancarbonitrile,3-hydroxy-
| Molecular Formula | C9H5NO2 |
|---|---|
| Molecular Weight | 159.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.03203 |
| Heavy Atoms | 12 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 57477-68-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(O2)C#N)O |
| InChIKey | TWHYVQXLGAEBMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-1-benzofuran-2-carbonitrile (CAS 57477-68-6), with molecular formula C9H5NO2 and molecular weight 159.03 g/mol. IUPAC: 3-hydroxy-1-benzofuran-2-carbonitrile.
Chemical Property Profile of 3-Hydroxy-1-benzofuran-2-carbonitrile
Property Insights of 3-Hydroxy-1-benzofuran-2-carbonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-1-benzofuran-2-carbonitrile. With a topological polar surface area (TPSA) of 57.2 Ų, 3-Hydroxy-1-benzofuran-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-1-benzofuran-2-carbonitrile has 1 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-Hydroxy-1-benzofuran-2-carbonitrile?
The CAS number of 3-Hydroxy-1-benzofuran-2-carbonitrile is 57477-68-6.
What is the molecular formula of 3-Hydroxy-1-benzofuran-2-carbonitrile?
The molecular formula of 3-Hydroxy-1-benzofuran-2-carbonitrile is C9H5NO2.
What is the molecular weight of 3-Hydroxy-1-benzofuran-2-carbonitrile?
The molecular weight of 3-Hydroxy-1-benzofuran-2-carbonitrile is 159.03 g/mol.
Where can I buy 3-Hydroxy-1-benzofuran-2-carbonitrile?
You can request a quote for 3-Hydroxy-1-benzofuran-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-1-benzofuran-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-1-benzofuran-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.