2,3,5,6-Tetramethylbenzonitrile
TL;DR: 2,3,5,6-Tetramethylbenzonitrile (CAS 2571-53-1) is a chemical compound with molecular formula C11H13N and molecular weight 159.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6-tetramethylbenzonitrile
Also Known As: 2,3,5,6-Tetramethylbenzonitrile, 2,3,5,6-Tetramethylphenylcyanide, 2,3,5,6-Tetramethylbenzonitrile #, J3.411.112J, AE-562/43459546
| Molecular Formula | C11H13N |
|---|---|
| Molecular Weight | 159.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.1048 |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 2571-53-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)C#N)C)C |
| InChIKey | AABLXRLWVSFCHG-UHFFFAOYSA-N |
Product Overview
2,3,5,6-Tetramethylbenzonitrile (CAS 2571-53-1), with molecular formula C11H13N and molecular weight 159.10 g/mol. IUPAC: 2,3,5,6-tetramethylbenzonitrile.
Chemical Property Profile of 2,3,5,6-Tetramethylbenzonitrile
Property Insights of 2,3,5,6-Tetramethylbenzonitrile
The XLogP value of 3.1 indicates that 2,3,5,6-Tetramethylbenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2,3,5,6-Tetramethylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,5,6-Tetramethylbenzonitrile 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 2,3,5,6-Tetramethylbenzonitrile?
The CAS number of 2,3,5,6-Tetramethylbenzonitrile is 2571-53-1.
What is the molecular formula of 2,3,5,6-Tetramethylbenzonitrile?
The molecular formula of 2,3,5,6-Tetramethylbenzonitrile is C11H13N.
What is the molecular weight of 2,3,5,6-Tetramethylbenzonitrile?
The molecular weight of 2,3,5,6-Tetramethylbenzonitrile is 159.10 g/mol.
Where can I buy 2,3,5,6-Tetramethylbenzonitrile?
You can request a quote for 2,3,5,6-Tetramethylbenzonitrile 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-Tetramethylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5,6-Tetramethylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.