2,4,6-Tritert-butylbenzonitrile
TL;DR: 2,4,6-Tritert-butylbenzonitrile (CAS 24309-22-6) is a chemical compound with molecular formula C19H29N and molecular weight 271.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-tritert-butylbenzonitrile
Also Known As: 2,4,6-Tritert-butylbenzonitrile, 2,4,6-Tri-tert-butylbenzonitrile, 2,4,6-Tri-tert-butyl-benzonitrile, 2,4,6-Tritert-butylbenzonitrile #, 2,4,6-tri-(tert-butyl)benzonitrile
| Molecular Formula | C19H29N |
|---|---|
| Molecular Weight | 271.23 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.23 |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 24309-22-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)C#N)C(C)(C)C |
| InChIKey | YPTTWFYLFCSZKX-UHFFFAOYSA-N |
Product Overview
2,4,6-Tritert-butylbenzonitrile (CAS 24309-22-6), with molecular formula C19H29N and molecular weight 271.23 g/mol. IUPAC: 2,4,6-tritert-butylbenzonitrile.
Chemical Property Profile of 2,4,6-Tritert-butylbenzonitrile
Property Insights of 2,4,6-Tritert-butylbenzonitrile
The XLogP value of 6.7 indicates that 2,4,6-Tritert-butylbenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2,4,6-Tritert-butylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Tritert-butylbenzonitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,6-Tritert-butylbenzonitrile?
The CAS number of 2,4,6-Tritert-butylbenzonitrile is 24309-22-6.
What is the molecular formula of 2,4,6-Tritert-butylbenzonitrile?
The molecular formula of 2,4,6-Tritert-butylbenzonitrile is C19H29N.
What is the molecular weight of 2,4,6-Tritert-butylbenzonitrile?
The molecular weight of 2,4,6-Tritert-butylbenzonitrile is 271.23 g/mol.
Where can I buy 2,4,6-Tritert-butylbenzonitrile?
You can request a quote for 2,4,6-Tritert-butylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Tritert-butylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Tritert-butylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.