![3-{2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxopropanenitrile structure](/static/products/6547/6547-57-5.webp)
3-{2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxopropanenitrile
TL;DR: 3-{2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxopropanenitrile (CAS 6547-57-5) is a chemical compound with molecular formula C24H15F3N4O4 and molecular weight 480.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-(5-nitro-2-oxo-1H-indol-3-ylidene)-3-oxopropanenitrile
Also Known As: 3-{2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxopropanenitrile, 3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-(5-nitro-2-oxo-1H-indol-3-ylidene)-3-oxopropanenitrile
| Molecular Formula | C24H15F3N4O4 |
|---|---|
| Molecular Weight | 480.10 g/mol |
| LogP | 5.13332 |
| Topological Polar Surface Area | 118.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.10455 |
| Heavy Atoms | 35 |
| Complexity | 1509.8826 |
Chemical Identifiers
| CAS Number | 6547-57-5 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C(=O)C(=C3C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)C#N |
Product Overview
3-{2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxopropanenitrile (CAS 6547-57-5), with molecular formula C24H15F3N4O4 and molecular weight 480.10 g/mol. IUPAC: 3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-(5-nitro-2-oxo-1H-indol-3-ylidene)-3-oxopropanenitrile.
Chemical Property Profile of 3-{2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxopropanenitrile
Property Insights of 3-{2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxopropanenitrile
The XLogP value of 5.13332 indicates that 3-{2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxopropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxopropanenitrile. Following Lipinski's Rule of Five, 3-{2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxopropanenitrile has 1 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-{2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxopropanenitrile?
The CAS number of 3-{2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxopropanenitrile is 6547-57-5.
What is the molecular formula of 3-{2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxopropanenitrile?
The molecular formula of 3-{2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxopropanenitrile is C24H15F3N4O4.
What is the molecular weight of 3-{2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxopropanenitrile?
The molecular weight of 3-{2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxopropanenitrile is 480.10 g/mol.
Where can I buy 3-{2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxopropanenitrile?
You can request a quote for 3-{2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-{2,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-(5-nitro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.