![3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyanoprop-2-enoic acid structure](/static/products/7434/743440-55-3.webp)
3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyanoprop-2-enoic acid
TL;DR: 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyanoprop-2-enoic acid (CAS 743440-55-3) is a chemical compound with molecular formula C17H12ClF3N2O2 and molecular weight 368.05 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-cyanoprop-2-enoic acid
Also Known As: 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyanoprop-2-enoic acid, (E)-3-[1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoic acid, 3-(1-[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]-2,5-DIMETHYL-1H-PYRROL-3-YL)-2-CYANOPROP-2-ENOIC ACID, 3-[1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoic Acid, 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyanoprop-2-enoicacid
| Molecular Formula | C17H12ClF3N2O2 |
|---|---|
| Molecular Weight | 368.05 g/mol |
| LogP | 4.75792 |
| Topological Polar Surface Area | 66.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.05392 |
| Heavy Atoms | 25 |
| Complexity | 921.1949 |
Chemical Identifiers
| CAS Number | 743440-55-3 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(F)(F)F)C)/C=C(\C#N)/C(=O)O |
Product Overview
3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyanoprop-2-enoic acid (CAS 743440-55-3), with molecular formula C17H12ClF3N2O2 and molecular weight 368.05 g/mol. IUPAC: (E)-3-[1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoic acid.
Chemical Property Profile of 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyanoprop-2-enoic acid
Property Insights of 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyanoprop-2-enoic acid
The XLogP value of 4.75792 indicates that 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyanoprop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.02 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-cyanoprop-2-enoic acid. Following Lipinski's Rule of Five, 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyanoprop-2-enoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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-cyanoprop-2-enoic acid?
The CAS number of 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyanoprop-2-enoic acid is 743440-55-3.
What is the molecular formula of 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyanoprop-2-enoic acid?
The molecular formula of 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyanoprop-2-enoic acid is C17H12ClF3N2O2.
What is the molecular weight of 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyanoprop-2-enoic acid?
The molecular weight of 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyanoprop-2-enoic acid is 368.05 g/mol.
Where can I buy 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyanoprop-2-enoic acid?
You can request a quote for 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyanoprop-2-enoic acid 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-cyanoprop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyanoprop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.