2,6-Dicyanotoluene
TL;DR: 2,6-Dicyanotoluene (CAS 2317-22-8) is a chemical compound with molecular formula C9H6N2 and molecular weight 142.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbenzene-1,3-dicarbonitrile
Also Known As: 2-Methylisophthalonitrile, 2,6-Dicyanotoluene, 2-methylbenzene-1,3-dicarbonitrile, 3-Phthalodinitrile, methylisophthalonitrile
| Molecular Formula | C9H6N2 |
|---|---|
| Molecular Weight | 142.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.0531 |
| Heavy Atoms | 11 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 2317-22-8 |
|---|---|
| SMILES | CC1=C(C=CC=C1C#N)C#N |
| InChIKey | SVQCNROYIFLAMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dicyanotoluene (CAS 2317-22-8), with molecular formula C9H6N2 and molecular weight 142.05 g/mol. IUPAC: 2-methylbenzene-1,3-dicarbonitrile.
Chemical Property Profile of 2,6-Dicyanotoluene
Property Insights of 2,6-Dicyanotoluene
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dicyanotoluene. With a topological polar surface area (TPSA) of 47.6 Ų, 2,6-Dicyanotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dicyanotoluene 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 2,6-Dicyanotoluene?
The CAS number of 2,6-Dicyanotoluene is 2317-22-8.
What is the molecular formula of 2,6-Dicyanotoluene?
The molecular formula of 2,6-Dicyanotoluene is C9H6N2.
What is the molecular weight of 2,6-Dicyanotoluene?
The molecular weight of 2,6-Dicyanotoluene is 142.05 g/mol.
Where can I buy 2,6-Dicyanotoluene?
You can request a quote for 2,6-Dicyanotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dicyanotoluene?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dicyanotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.