2-(2,2-Dimethyl-4-phenyltetrahydro-2H-pyran-4-YL)acetonitrile
TL;DR: 2-(2,2-Dimethyl-4-phenyltetrahydro-2H-pyran-4-YL)acetonitrile (CAS 109878-46-8) is a chemical compound with molecular formula C15H19NO and molecular weight 229.14667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,2-dimethyl-4-phenyloxan-4-yl)acetonitrile
Also Known As: 2-(2,2-DIMETHYL-4-PHENYLTETRAHYDRO-2H-PYRAN-4-YL)ACETONITRILE, BAS 01312609, 2-(2,2-dimethyl-4-phenyloxan-4-yl)acetonitrile, (2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)acetonitrile, AB00101452-01
Technical Specifications
| Molecular Formula | C15H19NO |
| Molecular Weight | 229.14667 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.14667 Da |
| Heavy Atoms | 17 |
| Complexity | 308.0 |
| SMILES | CC1(CC(CCO1)(CC#N)C2=CC=CC=C2)C |
| InChIKey | MTJBXSFLKBXROG-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2,2-Dimethyl-4-phenyltetrahydro-2H-pyran-4-YL)acetonitrile
Property Insights of 2-(2,2-Dimethyl-4-phenyltetrahydro-2H-pyran-4-YL)acetonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,2-Dimethyl-4-phenyltetrahydro-2H-pyran-4-YL)acetonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 2-(2,2-Dimethyl-4-phenyltetrahydro-2H-pyran-4-YL)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,2-Dimethyl-4-phenyltetrahydro-2H-pyran-4-YL)acetonitrile 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 2-(2,2-Dimethyl-4-phenyltetrahydro-2H-pyran-4-YL)acetonitrile?
The CAS number of 2-(2,2-Dimethyl-4-phenyltetrahydro-2H-pyran-4-YL)acetonitrile is 109878-46-8.
What is the molecular formula of 2-(2,2-Dimethyl-4-phenyltetrahydro-2H-pyran-4-YL)acetonitrile?
The molecular formula of 2-(2,2-Dimethyl-4-phenyltetrahydro-2H-pyran-4-YL)acetonitrile is C15H19NO.
What is the molecular weight of 2-(2,2-Dimethyl-4-phenyltetrahydro-2H-pyran-4-YL)acetonitrile?
The molecular weight of 2-(2,2-Dimethyl-4-phenyltetrahydro-2H-pyran-4-YL)acetonitrile is 229.14667 g/mol.
Where can I buy 2-(2,2-Dimethyl-4-phenyltetrahydro-2H-pyran-4-YL)acetonitrile?
You can request a quote for 2-(2,2-Dimethyl-4-phenyltetrahydro-2H-pyran-4-YL)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2,2-Dimethyl-4-phenyltetrahydro-2H-pyran-4-YL)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(2,2-Dimethyl-4-phenyltetrahydro-2H-pyran-4-YL)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.