gamma-(1-Methylethoxy)benzenebutanenitrile
TL;DR: gamma-(1-Methylethoxy)benzenebutanenitrile (CAS 70289-00-8) is a chemical compound with molecular formula C13H17NO and molecular weight 203.13101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-phenyl-4-propan-2-yloxybutanenitrile
Also Known As: gamma-(1-Methylethoxy)benzenebutyronitrile, 4-phenyl-4-propan-2-yloxybutanenitrile, 4-Isopropoxy-4-phenylbutyronitrile, 4-phenyl-4-(propan-2-yloxy)butanenitrile, gamma-(1-Methylethoxy)benzenebutanenitrile
Technical Specifications
| Molecular Formula | C13H17NO |
| Molecular Weight | 203.13101 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 203.13101 Da |
| Heavy Atoms | 15 |
| Complexity | 210.0 |
| SMILES | CC(C)OC(CCC#N)C1=CC=CC=C1 |
| InChIKey | KBAUUAZQHABMLG-UHFFFAOYSA-N |
Chemical Property Profile of gamma-(1-Methylethoxy)benzenebutanenitrile
Property Insights of gamma-(1-Methylethoxy)benzenebutanenitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for gamma-(1-Methylethoxy)benzenebutanenitrile. With a topological polar surface area (TPSA) of 33.0 Ų, gamma-(1-Methylethoxy)benzenebutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, gamma-(1-Methylethoxy)benzenebutanenitrile 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 gamma-(1-Methylethoxy)benzenebutanenitrile?
The CAS number of gamma-(1-Methylethoxy)benzenebutanenitrile is 70289-00-8.
What is the molecular formula of gamma-(1-Methylethoxy)benzenebutanenitrile?
The molecular formula of gamma-(1-Methylethoxy)benzenebutanenitrile is C13H17NO.
What is the molecular weight of gamma-(1-Methylethoxy)benzenebutanenitrile?
The molecular weight of gamma-(1-Methylethoxy)benzenebutanenitrile is 203.13101 g/mol.
Where can I buy gamma-(1-Methylethoxy)benzenebutanenitrile?
You can request a quote for gamma-(1-Methylethoxy)benzenebutanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for gamma-(1-Methylethoxy)benzenebutanenitrile?
Yes, CoreyChem provides custom synthesis services for gamma-(1-Methylethoxy)benzenebutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.