![2-[4-(3,3-Dimethyl-2-oxo-1-azetanyl)phenyl]acetonitrile structure](/static/products/4782/478262-00-9.webp)
2-[4-(3,3-Dimethyl-2-oxo-1-azetanyl)phenyl]acetonitrile
TL;DR: 2-[4-(3,3-Dimethyl-2-oxo-1-azetanyl)phenyl]acetonitrile (CAS 478262-00-9) is a chemical compound with molecular formula C13H14N2O and molecular weight 214.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]acetonitrile
Also Known As: Bionet2_001005, 2-[4-(3,3-dimethyl-2-oxo-1-azetanyl)phenyl]acetonitrile, 2-(4-(3,3-Dimethyl-2-oxoazetidin-1-yl)phenyl)acetonitrile, 2-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]acetonitrile, dimethyloxoazetanylphenylacetonitrile
| Molecular Formula | C13H14N2O |
|---|---|
| Molecular Weight | 214.11 g/mol |
| LogP | 2.12548 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.11061 |
| Heavy Atoms | 16 |
| Complexity | 453.8161 |
Chemical Identifiers
| CAS Number | 478262-00-9 |
|---|---|
| SMILES | CC1(CN(C1=O)C2=CC=C(C=C2)CC#N)C |
Product Overview
2-[4-(3,3-Dimethyl-2-oxo-1-azetanyl)phenyl]acetonitrile (CAS 478262-00-9), with molecular formula C13H14N2O and molecular weight 214.11 g/mol. IUPAC: 2-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]acetonitrile.
Chemical Property Profile of 2-[4-(3,3-Dimethyl-2-oxo-1-azetanyl)phenyl]acetonitrile
Property Insights of 2-[4-(3,3-Dimethyl-2-oxo-1-azetanyl)phenyl]acetonitrile
The XLogP value of 2.12548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(3,3-Dimethyl-2-oxo-1-azetanyl)phenyl]acetonitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 2-[4-(3,3-Dimethyl-2-oxo-1-azetanyl)phenyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(3,3-Dimethyl-2-oxo-1-azetanyl)phenyl]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
Frequently Asked Questions
What is the CAS number of 2-[4-(3,3-Dimethyl-2-oxo-1-azetanyl)phenyl]acetonitrile?
The CAS number of 2-[4-(3,3-Dimethyl-2-oxo-1-azetanyl)phenyl]acetonitrile is 478262-00-9.
What is the molecular formula of 2-[4-(3,3-Dimethyl-2-oxo-1-azetanyl)phenyl]acetonitrile?
The molecular formula of 2-[4-(3,3-Dimethyl-2-oxo-1-azetanyl)phenyl]acetonitrile is C13H14N2O.
What is the molecular weight of 2-[4-(3,3-Dimethyl-2-oxo-1-azetanyl)phenyl]acetonitrile?
The molecular weight of 2-[4-(3,3-Dimethyl-2-oxo-1-azetanyl)phenyl]acetonitrile is 214.11 g/mol.
Where can I buy 2-[4-(3,3-Dimethyl-2-oxo-1-azetanyl)phenyl]acetonitrile?
You can request a quote for 2-[4-(3,3-Dimethyl-2-oxo-1-azetanyl)phenyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(3,3-Dimethyl-2-oxo-1-azetanyl)phenyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(3,3-Dimethyl-2-oxo-1-azetanyl)phenyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.