![3-[4-(2-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]-2-propenenitrile structure](/static/products/885/885951-46-2.png)
3-[4-(2-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]-2-propenenitrile
TL;DR: 3-[4-(2-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]-2-propenenitrile (CAS 885951-46-2) is a chemical compound with molecular formula C22H14F4N2O and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-fluorobenzoyl)-1-methylpyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
Also Known As: 3-[4-(2-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]-2-propenenitrile, 3-[4-(2-fluorobenzoyl)-1-methylpyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile, 3-[4-(2-FluorobenZoyl)-1-methyl-1H-pyrrol-2-yl] -2-(3-methylphenyl)acrylonitrile, 3-[4-(2-Fluorobenzoyl)-1-methylpyrrol-2-yl]-2-(3-methylphenyl)acrylonitrile
| Molecular Formula | C22H14F4N2O |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 5.47818 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.10422 |
| Heavy Atoms | 29 |
| Complexity | 1150.1044 |
Chemical Identifiers
| CAS Number | 885951-46-2 |
|---|---|
| SMILES | CN1C=C(C=C1C=C(C#N)C2=CC(=CC=C2)C(F)(F)F)C(=O)C3=CC=CC=C3F |
Product Overview
3-[4-(2-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]-2-propenenitrile (CAS 885951-46-2), with molecular formula C22H14F4N2O and molecular weight 398.10 g/mol. IUPAC: 3-[4-(2-fluorobenzoyl)-1-methylpyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile.
Chemical Property Profile of 3-[4-(2-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]-2-propenenitrile
Property Insights of 3-[4-(2-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]-2-propenenitrile
The XLogP value of 5.47818 indicates that 3-[4-(2-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]-2-propenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.79 Ų, 3-[4-(2-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]-2-propenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(2-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]-2-propenenitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[4-(2-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]-2-propenenitrile?
The CAS number of 3-[4-(2-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]-2-propenenitrile is 885951-46-2.
What is the molecular formula of 3-[4-(2-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]-2-propenenitrile?
The molecular formula of 3-[4-(2-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]-2-propenenitrile is C22H14F4N2O.
What is the molecular weight of 3-[4-(2-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]-2-propenenitrile?
The molecular weight of 3-[4-(2-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]-2-propenenitrile is 398.10 g/mol.
Where can I buy 3-[4-(2-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]-2-propenenitrile?
You can request a quote for 3-[4-(2-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]-2-propenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(2-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(2-fluorobenzoyl)-1-methyl-1H-pyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.