2-(5-Methylfuran-2-yl)benzonitrile
TL;DR: 2-(5-Methylfuran-2-yl)benzonitrile (CAS 400751-12-4) is a chemical compound with molecular formula C12H9NO and molecular weight 183.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methylfuran-2-yl)benzonitrile
Also Known As: 2-(5-methylfuran-2-yl)benzonitrile, 2-(5-methyl-2-furyl)benzonitrile, 2-(5-Methyl-furan-2-yl)-benzonitrile, A1-132036
| Molecular Formula | C12H9NO |
|---|---|
| Molecular Weight | 183.07 g/mol |
| LogP | 3.1267 |
| Topological Polar Surface Area | 36.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.06842 |
| Heavy Atoms | 14 |
| Complexity | 491.018 |
Chemical Identifiers
| CAS Number | 400751-12-4 |
|---|---|
| SMILES | CC1=CC=C(O1)C2=CC=CC=C2C#N |
Product Overview
2-(5-Methylfuran-2-yl)benzonitrile (CAS 400751-12-4), with molecular formula C12H9NO and molecular weight 183.07 g/mol. IUPAC: 2-(5-methylfuran-2-yl)benzonitrile.
Chemical Property Profile of 2-(5-Methylfuran-2-yl)benzonitrile
Property Insights of 2-(5-Methylfuran-2-yl)benzonitrile
The XLogP value of 3.1267 indicates that 2-(5-Methylfuran-2-yl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.93 Ų, 2-(5-Methylfuran-2-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-Methylfuran-2-yl)benzonitrile 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-(5-Methylfuran-2-yl)benzonitrile?
The CAS number of 2-(5-Methylfuran-2-yl)benzonitrile is 400751-12-4.
What is the molecular formula of 2-(5-Methylfuran-2-yl)benzonitrile?
The molecular formula of 2-(5-Methylfuran-2-yl)benzonitrile is C12H9NO.
What is the molecular weight of 2-(5-Methylfuran-2-yl)benzonitrile?
The molecular weight of 2-(5-Methylfuran-2-yl)benzonitrile is 183.07 g/mol.
Where can I buy 2-(5-Methylfuran-2-yl)benzonitrile?
You can request a quote for 2-(5-Methylfuran-2-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Methylfuran-2-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Methylfuran-2-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.