![2-[(2,4,6-Trimethylphenyl)methylene]propanedinitrile structure](/static/products/1572/15728-35-5.webp)
2-[(2,4,6-Trimethylphenyl)methylene]propanedinitrile
TL;DR: 2-[(2,4,6-Trimethylphenyl)methylene]propanedinitrile (CAS 15728-35-5) is a chemical compound with molecular formula C13H12N2 and molecular weight 196.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4,6-trimethylphenyl)methylidene]propanedinitrile
Also Known As: (Mesitylmethylene)malononitrile, 2-(Mesitylmethylene)malononitrile, 2-(Mesitylmethylene)malononitrile #, 1-CYANO-2-MESITYLVINYL CYANIDE, 2,4,6-Trimethylbenzylidenemalononitrile
| Molecular Formula | C13H12N2 |
|---|---|
| Molecular Weight | 196.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.10005 |
| Heavy Atoms | 15 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 15728-35-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C=C(C#N)C#N)C |
| InChIKey | QOSQQUHFZLHOBR-UHFFFAOYSA-N |
Product Overview
2-[(2,4,6-Trimethylphenyl)methylene]propanedinitrile (CAS 15728-35-5), with molecular formula C13H12N2 and molecular weight 196.10 g/mol. IUPAC: 2-[(2,4,6-trimethylphenyl)methylidene]propanedinitrile.
Chemical Property Profile of 2-[(2,4,6-Trimethylphenyl)methylene]propanedinitrile
Property Insights of 2-[(2,4,6-Trimethylphenyl)methylene]propanedinitrile
The XLogP value of 3.1 indicates that 2-[(2,4,6-Trimethylphenyl)methylene]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)methylene]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2,4,6-Trimethylphenyl)methylene]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)methylene]propanedinitrile?
The CAS number of 2-[(2,4,6-Trimethylphenyl)methylene]propanedinitrile is 15728-35-5.
What is the molecular formula of 2-[(2,4,6-Trimethylphenyl)methylene]propanedinitrile?
The molecular formula of 2-[(2,4,6-Trimethylphenyl)methylene]propanedinitrile is C13H12N2.
What is the molecular weight of 2-[(2,4,6-Trimethylphenyl)methylene]propanedinitrile?
The molecular weight of 2-[(2,4,6-Trimethylphenyl)methylene]propanedinitrile is 196.10 g/mol.
Where can I buy 2-[(2,4,6-Trimethylphenyl)methylene]propanedinitrile?
You can request a quote for 2-[(2,4,6-Trimethylphenyl)methylene]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)methylene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,4,6-Trimethylphenyl)methylene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.