5-Methyl-2-furonitrile
TL;DR: 5-Methyl-2-furonitrile (CAS 13714-86-8) is a chemical compound with molecular formula C6H5NO and molecular weight 107.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylfuran-2-carbonitrile
Also Known As: 5-methyl-2-furonitrile, 5-methylfuran-2-carbonitrile, 2-Furancarbonitrile,5-methyl-, 2-furancarbonitrile, 5-methyl-, 5-methyl-furan-2-carbonitrile
| Molecular Formula | C6H5NO |
|---|---|
| Molecular Weight | 107.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 107.03712 |
| Heavy Atoms | 8 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 13714-86-8 |
|---|---|
| SMILES | CC1=CC=C(O1)C#N |
| InChIKey | XGCRBVWSFYTMEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-2-furonitrile (CAS 13714-86-8), with molecular formula C6H5NO and molecular weight 107.04 g/mol. IUPAC: 5-methylfuran-2-carbonitrile.
Chemical Property Profile of 5-Methyl-2-furonitrile
Property Insights of 5-Methyl-2-furonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-furonitrile. With a topological polar surface area (TPSA) of 36.9 Ų, 5-Methyl-2-furonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-furonitrile 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 5-Methyl-2-furonitrile?
The CAS number of 5-Methyl-2-furonitrile is 13714-86-8.
What is the molecular formula of 5-Methyl-2-furonitrile?
The molecular formula of 5-Methyl-2-furonitrile is C6H5NO.
What is the molecular weight of 5-Methyl-2-furonitrile?
The molecular weight of 5-Methyl-2-furonitrile is 107.04 g/mol.
Where can I buy 5-Methyl-2-furonitrile?
You can request a quote for 5-Methyl-2-furonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-furonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-furonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.