![2-[4-(3,3-Dimethyl-2-oxoazetidin-1-yl)phenyl]-3-(dimethylamino)prop-2-enenitrile structure](/static/products/3039/303985-91-3.webp)
2-[4-(3,3-Dimethyl-2-oxoazetidin-1-yl)phenyl]-3-(dimethylamino)prop-2-enenitrile
TL;DR: 2-[4-(3,3-Dimethyl-2-oxoazetidin-1-yl)phenyl]-3-(dimethylamino)prop-2-enenitrile (CAS 303985-91-3) is a chemical compound with molecular formula C16H19N3O and molecular weight 269.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-2-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]prop-2-enenitrile
Also Known As: 3-(dimethylamino)-2-[4-(3,3-dimethyl-2-oxo-1-azetanyl)phenyl]acrylonitrile, 2-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]-3-(dimethylamino)prop-2-enenitrile, 3-(dimethylamino)-2-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]prop-2-enenitrile
| Molecular Formula | C16H19N3O |
|---|---|
| Molecular Weight | 269.15 g/mol |
| LogP | 2.48548 |
| Topological Polar Surface Area | 47.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.1528 |
| Heavy Atoms | 20 |
| Complexity | 591.1431 |
Chemical Identifiers
| CAS Number | 303985-91-3 |
|---|---|
| SMILES | CC1(CN(C1=O)C2=CC=C(C=C2)C(=CN(C)C)C#N)C |
Product Overview
2-[4-(3,3-Dimethyl-2-oxoazetidin-1-yl)phenyl]-3-(dimethylamino)prop-2-enenitrile (CAS 303985-91-3), with molecular formula C16H19N3O and molecular weight 269.15 g/mol. IUPAC: 3-(dimethylamino)-2-[4-(3,3-dimethyl-2-oxoazetidin-1-yl)phenyl]prop-2-enenitrile.
Chemical Property Profile of 2-[4-(3,3-Dimethyl-2-oxoazetidin-1-yl)phenyl]-3-(dimethylamino)prop-2-enenitrile
Property Insights of 2-[4-(3,3-Dimethyl-2-oxoazetidin-1-yl)phenyl]-3-(dimethylamino)prop-2-enenitrile
The XLogP value of 2.48548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(3,3-Dimethyl-2-oxoazetidin-1-yl)phenyl]-3-(dimethylamino)prop-2-enenitrile. With a topological polar surface area (TPSA) of 47.34 Ų, 2-[4-(3,3-Dimethyl-2-oxoazetidin-1-yl)phenyl]-3-(dimethylamino)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(3,3-Dimethyl-2-oxoazetidin-1-yl)phenyl]-3-(dimethylamino)prop-2-enenitrile has 0 hydrogen bond donor(s) and 3 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-oxoazetidin-1-yl)phenyl]-3-(dimethylamino)prop-2-enenitrile?
The CAS number of 2-[4-(3,3-Dimethyl-2-oxoazetidin-1-yl)phenyl]-3-(dimethylamino)prop-2-enenitrile is 303985-91-3.
What is the molecular formula of 2-[4-(3,3-Dimethyl-2-oxoazetidin-1-yl)phenyl]-3-(dimethylamino)prop-2-enenitrile?
The molecular formula of 2-[4-(3,3-Dimethyl-2-oxoazetidin-1-yl)phenyl]-3-(dimethylamino)prop-2-enenitrile is C16H19N3O.
What is the molecular weight of 2-[4-(3,3-Dimethyl-2-oxoazetidin-1-yl)phenyl]-3-(dimethylamino)prop-2-enenitrile?
The molecular weight of 2-[4-(3,3-Dimethyl-2-oxoazetidin-1-yl)phenyl]-3-(dimethylamino)prop-2-enenitrile is 269.15 g/mol.
Where can I buy 2-[4-(3,3-Dimethyl-2-oxoazetidin-1-yl)phenyl]-3-(dimethylamino)prop-2-enenitrile?
You can request a quote for 2-[4-(3,3-Dimethyl-2-oxoazetidin-1-yl)phenyl]-3-(dimethylamino)prop-2-enenitrile 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-oxoazetidin-1-yl)phenyl]-3-(dimethylamino)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(3,3-Dimethyl-2-oxoazetidin-1-yl)phenyl]-3-(dimethylamino)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.