Benzeneacetonitrile, 4-(2,2-dimethyl-1-oxopropyl)-
TL;DR: Benzeneacetonitrile, 4-(2,2-dimethyl-1-oxopropyl)- (CAS 52449-33-9) is a chemical compound with molecular formula C13H15NO and molecular weight 201.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2,2-dimethylpropanoyl)phenyl]acetonitrile
Also Known As: 4-pivaloylphenyl acetonitrile, p-pivaloyl phenyl acetonitrile, 2-[4-(2,2-dimethylpropanoyl)phenyl]acetonitrile, Benzeneacetonitrile, 4-(2,2-dimethyl-1-oxopropyl)-, 4'-(CYANOMETHYL)-2,2-DIMETHYLPROPIOPHENONE
| Molecular Formula | C13H15NO |
|---|---|
| Molecular Weight | 201.12 g/mol |
| LogP | 2.98148 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.11537 |
| Heavy Atoms | 15 |
| Complexity | 390.0295 |
Chemical Identifiers
| CAS Number | 52449-33-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)C1=CC=C(C=C1)CC#N |
Product Overview
Benzeneacetonitrile, 4-(2,2-dimethyl-1-oxopropyl)- (CAS 52449-33-9), with molecular formula C13H15NO and molecular weight 201.12 g/mol. IUPAC: 2-[4-(2,2-dimethylpropanoyl)phenyl]acetonitrile.
Chemical Property Profile of Benzeneacetonitrile, 4-(2,2-dimethyl-1-oxopropyl)-
Property Insights of Benzeneacetonitrile, 4-(2,2-dimethyl-1-oxopropyl)-
The XLogP value of 2.98148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetonitrile, 4-(2,2-dimethyl-1-oxopropyl)-. With a topological polar surface area (TPSA) of 40.86 Ų, Benzeneacetonitrile, 4-(2,2-dimethyl-1-oxopropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetonitrile, 4-(2,2-dimethyl-1-oxopropyl)- 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
Frequently Asked Questions
What is the CAS number of Benzeneacetonitrile, 4-(2,2-dimethyl-1-oxopropyl)-?
The CAS number of Benzeneacetonitrile, 4-(2,2-dimethyl-1-oxopropyl)- is 52449-33-9.
What is the molecular formula of Benzeneacetonitrile, 4-(2,2-dimethyl-1-oxopropyl)-?
The molecular formula of Benzeneacetonitrile, 4-(2,2-dimethyl-1-oxopropyl)- is C13H15NO.
What is the molecular weight of Benzeneacetonitrile, 4-(2,2-dimethyl-1-oxopropyl)-?
The molecular weight of Benzeneacetonitrile, 4-(2,2-dimethyl-1-oxopropyl)- is 201.12 g/mol.
Where can I buy Benzeneacetonitrile, 4-(2,2-dimethyl-1-oxopropyl)-?
You can request a quote for Benzeneacetonitrile, 4-(2,2-dimethyl-1-oxopropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetonitrile, 4-(2,2-dimethyl-1-oxopropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetonitrile, 4-(2,2-dimethyl-1-oxopropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.