![2-[3-(4-Tert-butylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile structure](/static/products/1164/1164452-67-8.webp)
2-[3-(4-Tert-butylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile
TL;DR: 2-[3-(4-Tert-butylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile (CAS 1164452-67-8) is a chemical compound with molecular formula C22H24N2O2 and molecular weight 348.18378 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(4-tert-butylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile
Also Known As: 2-[3-(4-tert-butylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile, (Z)-2-{3-[4-(tert-butyl)phenoxy]benzoyl}-3-(dimethylamino)-2-propenenitrile
Technical Specifications
| Molecular Formula | C22H24N2O2 |
| Molecular Weight | 348.18378 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.18378 Da |
| Heavy Atoms | 26 |
| Complexity | 556.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)C(=CN(C)C)C#N |
| InChIKey | GBFLOXVGCYAQED-UHFFFAOYSA-N |
Chemical Property Profile of 2-[3-(4-Tert-butylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile
Property Insights of 2-[3-(4-Tert-butylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile
The XLogP value of 5.1 indicates that 2-[3-(4-Tert-butylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.3 Ų, 2-[3-(4-Tert-butylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(4-Tert-butylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-[3-(4-Tert-butylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile?
The CAS number of 2-[3-(4-Tert-butylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile is 1164452-67-8.
What is the molecular formula of 2-[3-(4-Tert-butylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile?
The molecular formula of 2-[3-(4-Tert-butylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile is C22H24N2O2.
What is the molecular weight of 2-[3-(4-Tert-butylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile?
The molecular weight of 2-[3-(4-Tert-butylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile is 348.18378 g/mol.
Where can I buy 2-[3-(4-Tert-butylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile?
You can request a quote for 2-[3-(4-Tert-butylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[3-(4-Tert-butylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 2-[3-(4-Tert-butylphenoxy)benzoyl]-3-(dimethylamino)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.