![3-[4-(Dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile structure](/static/products/3979/397-91-1.webp)
3-[4-(Dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile
TL;DR: 3-[4-(Dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile (CAS 397-91-1) is a chemical compound with molecular formula C17H15FN2 and molecular weight 266.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile
Also Known As: 3-(4-(Dimethylamino)phenyl)-2-(4-fluorophenyl)acrylonitrile, 3-(4-dimethylaminophenyl)-2-(4-fluorophenyl)prop-2-enenitrile, (Z)-3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-ene
| Molecular Formula | C17H15FN2 |
|---|---|
| Molecular Weight | 266.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.12192 |
| Heavy Atoms | 20 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 397-91-1 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=C(C#N)C2=CC=C(C=C2)F |
| InChIKey | RFEJMKDVVUJCAF-UHFFFAOYSA-N |
Product Overview
3-[4-(Dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile (CAS 397-91-1), with molecular formula C17H15FN2 and molecular weight 266.12 g/mol. IUPAC: 3-[4-(dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile.
Chemical Property Profile of 3-[4-(Dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile
Property Insights of 3-[4-(Dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile
The XLogP value of 3.9 indicates that 3-[4-(Dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, 3-[4-(Dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(Dimethylamino)phenyl]-2-(4-fluorophenyl)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 3-[4-(Dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile?
The CAS number of 3-[4-(Dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile is 397-91-1.
What is the molecular formula of 3-[4-(Dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile?
The molecular formula of 3-[4-(Dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile is C17H15FN2.
What is the molecular weight of 3-[4-(Dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile?
The molecular weight of 3-[4-(Dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile is 266.12 g/mol.
Where can I buy 3-[4-(Dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile?
You can request a quote for 3-[4-(Dimethylamino)phenyl]-2-(4-fluorophenyl)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 3-[4-(Dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Dimethylamino)phenyl]-2-(4-fluorophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.