2,5-Dihexylterephthalonitrile
TL;DR: 2,5-Dihexylterephthalonitrile (CAS 117635-25-3) is a chemical compound with molecular formula C20H28N2 and molecular weight 296.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dihexylbenzene-1,4-dicarbonitrile
Also Known As: 2,5-dihexylterephthalonitrile, 2,5-dihexylbenzene-1,4-dicarbonitrile, J3.432.300C, AO-289/15480080
| Molecular Formula | C20H28N2 |
|---|---|
| Molecular Weight | 296.23 g/mol |
| LogP | 5.67556 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 296.22525 |
| Heavy Atoms | 22 |
| Complexity | 482.11383 |
Chemical Identifiers
| CAS Number | 117635-25-3 |
|---|---|
| SMILES | CCCCCCC1=CC(=C(C=C1C#N)CCCCCC)C#N |
Product Overview
2,5-Dihexylterephthalonitrile (CAS 117635-25-3), with molecular formula C20H28N2 and molecular weight 296.23 g/mol. IUPAC: 2,5-dihexylbenzene-1,4-dicarbonitrile.
Chemical Property Profile of 2,5-Dihexylterephthalonitrile
Property Insights of 2,5-Dihexylterephthalonitrile
The XLogP value of 5.67556 indicates that 2,5-Dihexylterephthalonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, 2,5-Dihexylterephthalonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dihexylterephthalonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,5-Dihexylterephthalonitrile?
The CAS number of 2,5-Dihexylterephthalonitrile is 117635-25-3.
What is the molecular formula of 2,5-Dihexylterephthalonitrile?
The molecular formula of 2,5-Dihexylterephthalonitrile is C20H28N2.
What is the molecular weight of 2,5-Dihexylterephthalonitrile?
The molecular weight of 2,5-Dihexylterephthalonitrile is 296.23 g/mol.
Where can I buy 2,5-Dihexylterephthalonitrile?
You can request a quote for 2,5-Dihexylterephthalonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dihexylterephthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dihexylterephthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.