2,3,5,6-Tetramethyl-1,4-benzenediacetonitrile
TL;DR: 2,3,5,6-Tetramethyl-1,4-benzenediacetonitrile (CAS 1683-35-8) is a chemical compound with molecular formula C14H16N2 and molecular weight 212.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile
Also Known As: 1,4-Benzenediacetonitrile, 2,3,5,6-tetramethyl-, 1, 2,3,5,6-tetramethyl-, 2,3,5,6-Tetramethyl-1,4-benzenediacetonitrile, 2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile, 4-Cyanomethyl-2,3,5,6-tetramethylbenzylcyanid
| Molecular Formula | C14H16N2 |
|---|---|
| Molecular Weight | 212.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.13135 |
| Heavy Atoms | 16 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 1683-35-8 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1CC#N)C)C)CC#N)C |
| InChIKey | CDHFCWXYLKPCJG-UHFFFAOYSA-N |
Product Overview
2,3,5,6-Tetramethyl-1,4-benzenediacetonitrile (CAS 1683-35-8), with molecular formula C14H16N2 and molecular weight 212.13 g/mol. IUPAC: 2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile.
Chemical Property Profile of 2,3,5,6-Tetramethyl-1,4-benzenediacetonitrile
Property Insights of 2,3,5,6-Tetramethyl-1,4-benzenediacetonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,5,6-Tetramethyl-1,4-benzenediacetonitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 2,3,5,6-Tetramethyl-1,4-benzenediacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,5,6-Tetramethyl-1,4-benzenediacetonitrile 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 2,3,5,6-Tetramethyl-1,4-benzenediacetonitrile?
The CAS number of 2,3,5,6-Tetramethyl-1,4-benzenediacetonitrile is 1683-35-8.
What is the molecular formula of 2,3,5,6-Tetramethyl-1,4-benzenediacetonitrile?
The molecular formula of 2,3,5,6-Tetramethyl-1,4-benzenediacetonitrile is C14H16N2.
What is the molecular weight of 2,3,5,6-Tetramethyl-1,4-benzenediacetonitrile?
The molecular weight of 2,3,5,6-Tetramethyl-1,4-benzenediacetonitrile is 212.13 g/mol.
Where can I buy 2,3,5,6-Tetramethyl-1,4-benzenediacetonitrile?
You can request a quote for 2,3,5,6-Tetramethyl-1,4-benzenediacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5,6-Tetramethyl-1,4-benzenediacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6-Tetramethyl-1,4-benzenediacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.