2,6-Dimethylphenyl isocyanide
TL;DR: 2,6-Dimethylphenyl isocyanide (CAS 2769-71-3) is a chemical compound with molecular formula C9H9N and molecular weight 131.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyano-1,3-dimethylbenzene
Also Known As: 2,6-Dimethylphenyl isocyanide, 2-isocyano-1,3-dimethylbenzene, 2,6-Xyleneisonitrile, 2,6-Xylyl isocyanide, 2,6-Dimethylphenylisonitrile
| Molecular Formula | C9H9N |
|---|---|
| Molecular Weight | 131.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 131.0735 |
| Heavy Atoms | 10 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 2769-71-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)[N+]#[C-] |
| InChIKey | DNJLFZHMJDSJFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dimethylphenyl isocyanide (CAS 2769-71-3), with molecular formula C9H9N and molecular weight 131.07 g/mol. IUPAC: 2-isocyano-1,3-dimethylbenzene.
Chemical Property Profile of 2,6-Dimethylphenyl isocyanide
Property Insights of 2,6-Dimethylphenyl isocyanide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethylphenyl isocyanide. With a topological polar surface area (TPSA) of 4.4 Ų, 2,6-Dimethylphenyl isocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethylphenyl isocyanide has 0 hydrogen bond donor(s) and 1 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-Dimethylphenyl isocyanide?
The CAS number of 2,6-Dimethylphenyl isocyanide is 2769-71-3.
What is the molecular formula of 2,6-Dimethylphenyl isocyanide?
The molecular formula of 2,6-Dimethylphenyl isocyanide is C9H9N.
What is the molecular weight of 2,6-Dimethylphenyl isocyanide?
The molecular weight of 2,6-Dimethylphenyl isocyanide is 131.07 g/mol.
Where can I buy 2,6-Dimethylphenyl isocyanide?
You can request a quote for 2,6-Dimethylphenyl isocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethylphenyl isocyanide?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethylphenyl isocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.