2,4,6-Trimethylphenyl isocyanide
TL;DR: 2,4,6-Trimethylphenyl isocyanide (CAS 57116-96-8) is a chemical compound with molecular formula C10H11N and molecular weight 145.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyano-1,3,5-trimethylbenzene
Also Known As: 2-isocyano-1,3,5-trimethylbenzene, 2,4,6-Trimethylphenyl isocyanide, mesityl isocyanide, TOS-BB-0781, 2,4,6-trimethylphenyl isonitrile
| Molecular Formula | C10H11N |
|---|---|
| Molecular Weight | 145.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.08914 |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 57116-96-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)[N+]#[C-])C |
| InChIKey | PNLRXQFLTHXBIT-UHFFFAOYSA-N |
Product Overview
2,4,6-Trimethylphenyl isocyanide (CAS 57116-96-8), with molecular formula C10H11N and molecular weight 145.09 g/mol. IUPAC: 2-isocyano-1,3,5-trimethylbenzene.
Chemical Property Profile of 2,4,6-Trimethylphenyl isocyanide
Property Insights of 2,4,6-Trimethylphenyl isocyanide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trimethylphenyl isocyanide. With a topological polar surface area (TPSA) of 4.4 Ų, 2,4,6-Trimethylphenyl isocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trimethylphenyl 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 2,4,6-Trimethylphenyl isocyanide?
The CAS number of 2,4,6-Trimethylphenyl isocyanide is 57116-96-8.
What is the molecular formula of 2,4,6-Trimethylphenyl isocyanide?
The molecular formula of 2,4,6-Trimethylphenyl isocyanide is C10H11N.
What is the molecular weight of 2,4,6-Trimethylphenyl isocyanide?
The molecular weight of 2,4,6-Trimethylphenyl isocyanide is 145.09 g/mol.
Where can I buy 2,4,6-Trimethylphenyl isocyanide?
You can request a quote for 2,4,6-Trimethylphenyl isocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trimethylphenyl isocyanide?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trimethylphenyl isocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.