![3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]-2-[5-(4-methoxybenzoyl)thiophen-2-yl]prop-2-enenitrile structure](/static/products/3389/338966-77-1.webp)
3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]-2-[5-(4-methoxybenzoyl)thiophen-2-yl]prop-2-enenitrile
TL;DR: 3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]-2-[5-(4-methoxybenzoyl)thiophen-2-yl]prop-2-enenitrile (CAS 338966-77-1) is a chemical compound with molecular formula C25H15ClF3N3O2S and molecular weight 513.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]-2-[5-(4-methoxybenzoyl)thiophen-2-yl]prop-2-enenitrile
Also Known As: 3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]-2-[5-(4-methoxybenzoyl)thiophen-2-yl]prop-2-enenitrile, 3-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrol-2-yl}-2-[5-(4-methoxybenzoyl)-2-thienyl]acrylonitrile
| Molecular Formula | C25H15ClF3N3O2S |
|---|---|
| Molecular Weight | 513.05 g/mol |
| LogP | 6.90978 |
| Topological Polar Surface Area | 67.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 513.05255 |
| Heavy Atoms | 35 |
| Complexity | 1464.3412 |
Chemical Identifiers
| CAS Number | 338966-77-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)C2=CC=C(S2)C(=CC3=CC=CN3C4=C(C=C(C=N4)C(F)(F)F)Cl)C#N |
Product Overview
3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]-2-[5-(4-methoxybenzoyl)thiophen-2-yl]prop-2-enenitrile (CAS 338966-77-1), with molecular formula C25H15ClF3N3O2S and molecular weight 513.05 g/mol. IUPAC: 3-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]-2-[5-(4-methoxybenzoyl)thiophen-2-yl]prop-2-enenitrile.
Chemical Property Profile of 3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]-2-[5-(4-methoxybenzoyl)thiophen-2-yl]prop-2-enenitrile
Property Insights of 3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]-2-[5-(4-methoxybenzoyl)thiophen-2-yl]prop-2-enenitrile
The XLogP value of 6.90978 indicates that 3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]-2-[5-(4-methoxybenzoyl)thiophen-2-yl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]-2-[5-(4-methoxybenzoyl)thiophen-2-yl]prop-2-enenitrile. Following Lipinski's Rule of Five, 3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]-2-[5-(4-methoxybenzoyl)thiophen-2-yl]prop-2-enenitrile has 0 hydrogen bond donor(s) and 5 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-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]-2-[5-(4-methoxybenzoyl)thiophen-2-yl]prop-2-enenitrile?
The CAS number of 3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]-2-[5-(4-methoxybenzoyl)thiophen-2-yl]prop-2-enenitrile is 338966-77-1.
What is the molecular formula of 3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]-2-[5-(4-methoxybenzoyl)thiophen-2-yl]prop-2-enenitrile?
The molecular formula of 3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]-2-[5-(4-methoxybenzoyl)thiophen-2-yl]prop-2-enenitrile is C25H15ClF3N3O2S.
What is the molecular weight of 3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]-2-[5-(4-methoxybenzoyl)thiophen-2-yl]prop-2-enenitrile?
The molecular weight of 3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]-2-[5-(4-methoxybenzoyl)thiophen-2-yl]prop-2-enenitrile is 513.05 g/mol.
Where can I buy 3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]-2-[5-(4-methoxybenzoyl)thiophen-2-yl]prop-2-enenitrile?
You can request a quote for 3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]-2-[5-(4-methoxybenzoyl)thiophen-2-yl]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 3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]-2-[5-(4-methoxybenzoyl)thiophen-2-yl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]-2-[5-(4-methoxybenzoyl)thiophen-2-yl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.