4-(Allyloxy)-3,5-diisopropylbenzonitrile
TL;DR: 4-(Allyloxy)-3,5-diisopropylbenzonitrile (CAS 102075-37-6) is a chemical compound with molecular formula C16H21NO and molecular weight 243.16231 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-di(propan-2-yl)-4-prop-2-enoxybenzonitrile
Also Known As: NIOSH/DI2452750, 4-(Allyloxy)-3,5-diisopropylbenzonitrile, 4-Allyloxy-3.5-diisopropyl-benzonitril, 4-Allyloxy-3,5-diisopropyl-benzonitrile, Benzonitrile, 4-(allyloxy)-3,5-diisopropyl-
Technical Specifications
| Molecular Formula | C16H21NO |
| Molecular Weight | 243.16231 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.16231 Da |
| Heavy Atoms | 18 |
| Complexity | 294.0 |
| SMILES | CC(C)C1=CC(=CC(=C1OCC=C)C(C)C)C#N |
| InChIKey | RERCFPGUSTWADJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Allyloxy)-3,5-diisopropylbenzonitrile
Property Insights of 4-(Allyloxy)-3,5-diisopropylbenzonitrile
The XLogP value of 4.5 indicates that 4-(Allyloxy)-3,5-diisopropylbenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 4-(Allyloxy)-3,5-diisopropylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Allyloxy)-3,5-diisopropylbenzonitrile 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
What is the CAS number of 4-(Allyloxy)-3,5-diisopropylbenzonitrile?
The CAS number of 4-(Allyloxy)-3,5-diisopropylbenzonitrile is 102075-37-6.
What is the molecular formula of 4-(Allyloxy)-3,5-diisopropylbenzonitrile?
The molecular formula of 4-(Allyloxy)-3,5-diisopropylbenzonitrile is C16H21NO.
What is the molecular weight of 4-(Allyloxy)-3,5-diisopropylbenzonitrile?
The molecular weight of 4-(Allyloxy)-3,5-diisopropylbenzonitrile is 243.16231 g/mol.
Where can I buy 4-(Allyloxy)-3,5-diisopropylbenzonitrile?
You can request a quote for 4-(Allyloxy)-3,5-diisopropylbenzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Allyloxy)-3,5-diisopropylbenzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(Allyloxy)-3,5-diisopropylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.