(E)-3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-fluorophenyl)prop-2-enenitrile
TL;DR: (E)-3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-fluorophenyl)prop-2-enenitrile (CAS 714210-27-2) is a chemical compound with molecular formula C22H19FN2 and molecular weight 330.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-fluorophenyl)prop-2-enenitrile
Also Known As: (2E)-3-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-fluorophenyl)prop-2-enenitrile, (E)-3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-fluorophenyl)prop-2-enenitrile
| Molecular Formula | C22H19FN2 |
|---|---|
| Molecular Weight | 330.15 g/mol |
| LogP | 5.35652 |
| Topological Polar Surface Area | 28.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.15323 |
| Heavy Atoms | 25 |
| Complexity | 942.18744 |
Chemical Identifiers
| CAS Number | 714210-27-2 |
|---|---|
| SMILES | CC1=CC(=C(N1CC2=CC=CC=C2)C)/C=C(/C#N)\C3=CC=C(C=C3)F |
Product Overview
(E)-3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-fluorophenyl)prop-2-enenitrile (CAS 714210-27-2), with molecular formula C22H19FN2 and molecular weight 330.15 g/mol. IUPAC: (E)-3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-fluorophenyl)prop-2-enenitrile.
Chemical Property Profile of (E)-3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-fluorophenyl)prop-2-enenitrile
Property Insights of (E)-3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-fluorophenyl)prop-2-enenitrile
The XLogP value of 5.35652 indicates that (E)-3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-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 28.72 Ų, (E)-3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-fluorophenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-fluorophenyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-fluorophenyl)prop-2-enenitrile?
The CAS number of (E)-3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-fluorophenyl)prop-2-enenitrile is 714210-27-2.
What is the molecular formula of (E)-3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-fluorophenyl)prop-2-enenitrile?
The molecular formula of (E)-3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-fluorophenyl)prop-2-enenitrile is C22H19FN2.
What is the molecular weight of (E)-3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-fluorophenyl)prop-2-enenitrile?
The molecular weight of (E)-3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-fluorophenyl)prop-2-enenitrile is 330.15 g/mol.
Where can I buy (E)-3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-fluorophenyl)prop-2-enenitrile?
You can request a quote for (E)-3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-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 (E)-3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-fluorophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(4-fluorophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.