![3-(Dimethylamino)-2-[2-(3-fluorophenoxy)benzoyl]prop-2-enenitrile structure](/static/products/1365/136562-92-0.webp)
3-(Dimethylamino)-2-[2-(3-fluorophenoxy)benzoyl]prop-2-enenitrile
TL;DR: 3-(Dimethylamino)-2-[2-(3-fluorophenoxy)benzoyl]prop-2-enenitrile (CAS 136562-92-0) is a chemical compound with molecular formula C18H15FN2O2 and molecular weight 310.11176 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(dimethylamino)-2-[2-(3-fluorophenoxy)benzoyl]prop-2-enenitrile
Also Known As: 3-(dimethylamino)-2-[2-(3-fluorophenoxy)benzoyl]prop-2-enenitrile, (E)-3-(dimethylamino)-2-[2-(3-fluorophenoxy)benzoyl]-2-propenenitrile
Technical Specifications
| Molecular Formula | C18H15FN2O2 |
| Molecular Weight | 310.11176 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.11176 Da |
| Heavy Atoms | 23 |
| Complexity | 494.0 |
| SMILES | CN(C)C=C(C#N)C(=O)C1=CC=CC=C1OC2=CC(=CC=C2)F |
| InChIKey | AYTVPEBCFIBJOR-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Dimethylamino)-2-[2-(3-fluorophenoxy)benzoyl]prop-2-enenitrile
Property Insights of 3-(Dimethylamino)-2-[2-(3-fluorophenoxy)benzoyl]prop-2-enenitrile
The XLogP value of 3.5 indicates that 3-(Dimethylamino)-2-[2-(3-fluorophenoxy)benzoyl]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, 3-(Dimethylamino)-2-[2-(3-fluorophenoxy)benzoyl]prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)-2-[2-(3-fluorophenoxy)benzoyl]prop-2-enenitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(Dimethylamino)-2-[2-(3-fluorophenoxy)benzoyl]prop-2-enenitrile?
The CAS number of 3-(Dimethylamino)-2-[2-(3-fluorophenoxy)benzoyl]prop-2-enenitrile is 136562-92-0.
What is the molecular formula of 3-(Dimethylamino)-2-[2-(3-fluorophenoxy)benzoyl]prop-2-enenitrile?
The molecular formula of 3-(Dimethylamino)-2-[2-(3-fluorophenoxy)benzoyl]prop-2-enenitrile is C18H15FN2O2.
What is the molecular weight of 3-(Dimethylamino)-2-[2-(3-fluorophenoxy)benzoyl]prop-2-enenitrile?
The molecular weight of 3-(Dimethylamino)-2-[2-(3-fluorophenoxy)benzoyl]prop-2-enenitrile is 310.11176 g/mol.
Where can I buy 3-(Dimethylamino)-2-[2-(3-fluorophenoxy)benzoyl]prop-2-enenitrile?
You can request a quote for 3-(Dimethylamino)-2-[2-(3-fluorophenoxy)benzoyl]prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Dimethylamino)-2-[2-(3-fluorophenoxy)benzoyl]prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(Dimethylamino)-2-[2-(3-fluorophenoxy)benzoyl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.