3-Methylbenzofuran-2-carbonitrile
TL;DR: 3-Methylbenzofuran-2-carbonitrile (CAS 2076-42-8) is a chemical compound with molecular formula C10H7NO and molecular weight 157.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-benzofuran-2-carbonitrile
Also Known As: 3-Methylbenzofuran-2-carbonitrile, 2-Cyano-3-methylbenzofuran, 3-methyl-1-benzofuran-2-carbonitrile, 3-Methyl-benzofuran-2-carbonitrile, 3-methylbenzo[b]furan-2-carbonitrile
| Molecular Formula | C10H7NO |
|---|---|
| Molecular Weight | 157.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.05276 |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 2076-42-8 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C12)C#N |
| InChIKey | SMTGAKOXIJJOIU-UHFFFAOYSA-N |
Product Overview
3-Methylbenzofuran-2-carbonitrile (CAS 2076-42-8), with molecular formula C10H7NO and molecular weight 157.05 g/mol. IUPAC: 3-methyl-1-benzofuran-2-carbonitrile.
Chemical Property Profile of 3-Methylbenzofuran-2-carbonitrile
Property Insights of 3-Methylbenzofuran-2-carbonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbenzofuran-2-carbonitrile. With a topological polar surface area (TPSA) of 36.9 Ų, 3-Methylbenzofuran-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbenzofuran-2-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 3-Methylbenzofuran-2-carbonitrile?
The CAS number of 3-Methylbenzofuran-2-carbonitrile is 2076-42-8.
What is the molecular formula of 3-Methylbenzofuran-2-carbonitrile?
The molecular formula of 3-Methylbenzofuran-2-carbonitrile is C10H7NO.
What is the molecular weight of 3-Methylbenzofuran-2-carbonitrile?
The molecular weight of 3-Methylbenzofuran-2-carbonitrile is 157.05 g/mol.
Where can I buy 3-Methylbenzofuran-2-carbonitrile?
You can request a quote for 3-Methylbenzofuran-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-Methylbenzofuran-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbenzofuran-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.