![3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(pyridin-2-yl)prop-2-enamide structure](/static/products/7458/745806-07-9.webp)
3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(pyridin-2-yl)prop-2-enamide
TL;DR: 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(pyridin-2-yl)prop-2-enamide (CAS 745806-07-9) is a chemical compound with molecular formula C22H16ClF3N4O and molecular weight 444.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-pyridin-2-ylprop-2-enamide
Also Known As: 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(pyridin-2-yl)prop-2-enamide, (E)-3-[1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-pyridin-2-ylprop-2-enamide
| Molecular Formula | C22H16ClF3N4O |
|---|---|
| Molecular Weight | 444.10 g/mol |
| LogP | 5.70702 |
| Topological Polar Surface Area | 70.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.09647 |
| Heavy Atoms | 31 |
| Complexity | 1207.9745 |
Chemical Identifiers
| CAS Number | 745806-07-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(F)(F)F)C)/C=C(\C#N)/C(=O)NC3=CC=CC=N3 |
Product Overview
3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(pyridin-2-yl)prop-2-enamide (CAS 745806-07-9), with molecular formula C22H16ClF3N4O and molecular weight 444.10 g/mol. IUPAC: (E)-3-[1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-pyridin-2-ylprop-2-enamide.
Chemical Property Profile of 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(pyridin-2-yl)prop-2-enamide
Property Insights of 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(pyridin-2-yl)prop-2-enamide
The XLogP value of 5.70702 indicates that 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(pyridin-2-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(pyridin-2-yl)prop-2-enamide. Following Lipinski's Rule of Five, 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(pyridin-2-yl)prop-2-enamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(pyridin-2-yl)prop-2-enamide?
The CAS number of 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(pyridin-2-yl)prop-2-enamide is 745806-07-9.
What is the molecular formula of 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(pyridin-2-yl)prop-2-enamide?
The molecular formula of 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(pyridin-2-yl)prop-2-enamide is C22H16ClF3N4O.
What is the molecular weight of 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(pyridin-2-yl)prop-2-enamide?
The molecular weight of 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(pyridin-2-yl)prop-2-enamide is 444.10 g/mol.
Where can I buy 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(pyridin-2-yl)prop-2-enamide?
You can request a quote for 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(pyridin-2-yl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(pyridin-2-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(pyridin-2-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.