2,4,6-Triisopropylbenzonitrile
TL;DR: 2,4,6-Triisopropylbenzonitrile (CAS 101254-85-7) is a chemical compound with molecular formula C16H23N and molecular weight 229.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-tri(propan-2-yl)benzonitrile
Also Known As: 2,4,6-Triisopropylbenzonitrile, 2,4,6-triisopropyl-benzonitrile, 2,4,6-Triisopropyl-benzonitril, 2,4,6-tri(isopropyl)benzonitrile, 2,4,6-Triisopropylbenzonitrile #
| Molecular Formula | C16H23N |
|---|---|
| Molecular Weight | 229.18 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.18304 |
| Heavy Atoms | 17 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 101254-85-7 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C(=C1)C(C)C)C#N)C(C)C |
| InChIKey | PIEUKNZBODJFIS-UHFFFAOYSA-N |
Product Overview
2,4,6-Triisopropylbenzonitrile (CAS 101254-85-7), with molecular formula C16H23N and molecular weight 229.18 g/mol. IUPAC: 2,4,6-tri(propan-2-yl)benzonitrile.
Chemical Property Profile of 2,4,6-Triisopropylbenzonitrile
Property Insights of 2,4,6-Triisopropylbenzonitrile
The XLogP value of 5.0 indicates that 2,4,6-Triisopropylbenzonitrile 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-Triisopropylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Triisopropylbenzonitrile 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 2,4,6-Triisopropylbenzonitrile?
The CAS number of 2,4,6-Triisopropylbenzonitrile is 101254-85-7.
What is the molecular formula of 2,4,6-Triisopropylbenzonitrile?
The molecular formula of 2,4,6-Triisopropylbenzonitrile is C16H23N.
What is the molecular weight of 2,4,6-Triisopropylbenzonitrile?
The molecular weight of 2,4,6-Triisopropylbenzonitrile is 229.18 g/mol.
Where can I buy 2,4,6-Triisopropylbenzonitrile?
You can request a quote for 2,4,6-Triisopropylbenzonitrile 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-Triisopropylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Triisopropylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.