![(E)-3-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide structure](/static/products/5560/556008-33-4.webp)
(E)-3-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide
TL;DR: (E)-3-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide (CAS 556008-33-4) is a chemical compound with molecular formula C27H24ClF3N4O2 and molecular weight 528.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide
Also Known As: (E)-3-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide, 3-{1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-[4-(morpholin-4-yl)phenyl]prop-2-enamide
| Molecular Formula | C27H24ClF3N4O2 |
|---|---|
| Molecular Weight | 528.15 g/mol |
| LogP | 6.14862 |
| Topological Polar Surface Area | 70.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 528.154 |
| Heavy Atoms | 37 |
| Complexity | 1382.3583 |
Chemical Identifiers
| CAS Number | 556008-33-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=C(C=CC(=C2)C(F)(F)F)Cl)C)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)N4CCOCC4 |
Product Overview
(E)-3-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide (CAS 556008-33-4), with molecular formula C27H24ClF3N4O2 and molecular weight 528.15 g/mol. IUPAC: (E)-3-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide.
Chemical Property Profile of (E)-3-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide
Property Insights of (E)-3-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide
The XLogP value of 6.14862 indicates that (E)-3-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.29 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-3-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide has 1 hydrogen bond donor(s) and 4 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-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide?
The CAS number of (E)-3-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide is 556008-33-4.
What is the molecular formula of (E)-3-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide?
The molecular formula of (E)-3-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide is C27H24ClF3N4O2.
What is the molecular weight of (E)-3-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide?
The molecular weight of (E)-3-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide is 528.15 g/mol.
Where can I buy (E)-3-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide?
You can request a quote for (E)-3-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-morpholin-4-ylphenyl)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 (E)-3-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-[1-[2-chloro-5-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-morpholin-4-ylphenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.