2-Ethyl-1-benzofuran-3-carbonitrile
TL;DR: 2-Ethyl-1-benzofuran-3-carbonitrile (CAS 42901-97-3) is a chemical compound with molecular formula C11H9NO and molecular weight 171.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1-benzofuran-3-carbonitrile
Also Known As: 2-Ethylbenzofuran-3-carbonitrile, 2-ethyl-1-benzofuran-3-carbonitrile, 3-CYANO-2-ETHYLBENZOFURAN, 3-cyano-2-ethylbenzo[b]furan, 3-Benzofurancarbonitrile,2-ethyl
| Molecular Formula | C11H9NO |
|---|---|
| Molecular Weight | 171.07 g/mol |
| LogP | 2.86688 |
| Topological Polar Surface Area | 36.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.06842 |
| Heavy Atoms | 13 |
| Complexity | 476.2862 |
Chemical Identifiers
| CAS Number | 42901-97-3 |
|---|---|
| SMILES | CCC1=C(C2=CC=CC=C2O1)C#N |
Product Overview
2-Ethyl-1-benzofuran-3-carbonitrile (CAS 42901-97-3), with molecular formula C11H9NO and molecular weight 171.07 g/mol. IUPAC: 2-ethyl-1-benzofuran-3-carbonitrile.
Chemical Property Profile of 2-Ethyl-1-benzofuran-3-carbonitrile
Property Insights of 2-Ethyl-1-benzofuran-3-carbonitrile
The XLogP value of 2.86688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-1-benzofuran-3-carbonitrile. With a topological polar surface area (TPSA) of 36.93 Ų, 2-Ethyl-1-benzofuran-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-1-benzofuran-3-carbonitrile 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-Ethyl-1-benzofuran-3-carbonitrile?
The CAS number of 2-Ethyl-1-benzofuran-3-carbonitrile is 42901-97-3.
What is the molecular formula of 2-Ethyl-1-benzofuran-3-carbonitrile?
The molecular formula of 2-Ethyl-1-benzofuran-3-carbonitrile is C11H9NO.
What is the molecular weight of 2-Ethyl-1-benzofuran-3-carbonitrile?
The molecular weight of 2-Ethyl-1-benzofuran-3-carbonitrile is 171.07 g/mol.
Where can I buy 2-Ethyl-1-benzofuran-3-carbonitrile?
You can request a quote for 2-Ethyl-1-benzofuran-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-1-benzofuran-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-1-benzofuran-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.