![(E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide structure](/static/products/5226/522657-16-5.webp)
(E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
TL;DR: (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide (CAS 522657-16-5) is a chemical compound with molecular formula C23H16BrClF3N3O and molecular weight 521.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
Also Known As: (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide, 3-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
| Molecular Formula | C23H16BrClF3N3O |
|---|---|
| Molecular Weight | 521.01 g/mol |
| LogP | 7.07452 |
| Topological Polar Surface Area | 57.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 521.0117 |
| Heavy Atoms | 32 |
| Complexity | 1255.2167 |
Chemical Identifiers
| CAS Number | 522657-16-5 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)/C=C(\C#N)/C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl |
Product Overview
(E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide (CAS 522657-16-5), with molecular formula C23H16BrClF3N3O and molecular weight 521.01 g/mol. IUPAC: (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide.
Chemical Property Profile of (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
Property Insights of (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
The XLogP value of 7.07452 indicates that (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.82 Ų, (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide has 1 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 (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide?
The CAS number of (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide is 522657-16-5.
What is the molecular formula of (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide?
The molecular formula of (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide is C23H16BrClF3N3O.
What is the molecular weight of (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide?
The molecular weight of (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide is 521.01 g/mol.
Where can I buy (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide?
You can request a quote for (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide 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-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.