![2-[(2,4,6-Trimethylphenyl)methyl]propanedinitrile structure](/static/products/5553/5553-88-8.webp)
2-[(2,4,6-Trimethylphenyl)methyl]propanedinitrile
TL;DR: 2-[(2,4,6-Trimethylphenyl)methyl]propanedinitrile (CAS 5553-88-8) is a chemical compound with molecular formula C13H14N2 and molecular weight 198.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4,6-trimethylphenyl)methyl]propanedinitrile
Also Known As: 2-[(2,4,6-trimethylphenyl)methyl]propanedinitrile, [(2,4,6-Trimethylphenyl)methyl]propanedinitrile
| Molecular Formula | C13H14N2 |
|---|---|
| Molecular Weight | 198.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.11569 |
| Heavy Atoms | 15 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 5553-88-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)CC(C#N)C#N)C |
| InChIKey | VQPKGUAWXZZPRA-UHFFFAOYSA-N |
Product Overview
2-[(2,4,6-Trimethylphenyl)methyl]propanedinitrile (CAS 5553-88-8), with molecular formula C13H14N2 and molecular weight 198.12 g/mol. IUPAC: 2-[(2,4,6-trimethylphenyl)methyl]propanedinitrile.
Chemical Property Profile of 2-[(2,4,6-Trimethylphenyl)methyl]propanedinitrile
Property Insights of 2-[(2,4,6-Trimethylphenyl)methyl]propanedinitrile
The XLogP value of 3.0 indicates that 2-[(2,4,6-Trimethylphenyl)methyl]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 2-[(2,4,6-Trimethylphenyl)methyl]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2,4,6-Trimethylphenyl)methyl]propanedinitrile 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-[(2,4,6-Trimethylphenyl)methyl]propanedinitrile?
The CAS number of 2-[(2,4,6-Trimethylphenyl)methyl]propanedinitrile is 5553-88-8.
What is the molecular formula of 2-[(2,4,6-Trimethylphenyl)methyl]propanedinitrile?
The molecular formula of 2-[(2,4,6-Trimethylphenyl)methyl]propanedinitrile is C13H14N2.
What is the molecular weight of 2-[(2,4,6-Trimethylphenyl)methyl]propanedinitrile?
The molecular weight of 2-[(2,4,6-Trimethylphenyl)methyl]propanedinitrile is 198.12 g/mol.
Where can I buy 2-[(2,4,6-Trimethylphenyl)methyl]propanedinitrile?
You can request a quote for 2-[(2,4,6-Trimethylphenyl)methyl]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,4,6-Trimethylphenyl)methyl]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,4,6-Trimethylphenyl)methyl]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.