4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzonitrile
TL;DR: 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzonitrile (CAS 454473-69-9) is a chemical compound with molecular formula C12H12N2O and molecular weight 200.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzonitrile
Also Known As: 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzonitrile, dimethyloxoazetanylbenzenecarbonitrile, 4-(3,3-Dimethyl-2-oxo-1-azetanyl)-benzenecarbonitrile, 4-(3,3-dimethyl-2-oxo-1-azetanyl)benzenecarbonitrile, 9L-717
| Molecular Formula | C12H12N2O |
|---|---|
| Molecular Weight | 200.09 g/mol |
| LogP | 1.93108 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.09496 |
| Heavy Atoms | 15 |
| Complexity | 439.6851 |
Chemical Identifiers
| CAS Number | 454473-69-9 |
|---|---|
| SMILES | CC1(CN(C1=O)C2=CC=C(C=C2)C#N)C |
Product Overview
4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzonitrile (CAS 454473-69-9), with molecular formula C12H12N2O and molecular weight 200.09 g/mol. IUPAC: 4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzonitrile.
Chemical Property Profile of 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzonitrile
Property Insights of 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzonitrile
The XLogP value of 1.93108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzonitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzonitrile 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 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzonitrile?
The CAS number of 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzonitrile is 454473-69-9.
What is the molecular formula of 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzonitrile?
The molecular formula of 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzonitrile is C12H12N2O.
What is the molecular weight of 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzonitrile?
The molecular weight of 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzonitrile is 200.09 g/mol.
Where can I buy 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzonitrile?
You can request a quote for 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,3-Dimethyl-2-oxoazetidin-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.