![(E)-2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide structure](/static/products/5865/5865-62-3.webp)
(E)-2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide
TL;DR: (E)-2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide (CAS 5865-62-3) is a chemical compound with molecular formula C23H19FN4O3 and molecular weight 418.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide
Also Known As: (E)-2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide, 2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)-1H-pyrrol-3-yl]-N-(4-fluorophenyl)acrylamide
| Molecular Formula | C23H19FN4O3 |
|---|---|
| Molecular Weight | 418.14 g/mol |
| LogP | 4.99554 |
| Topological Polar Surface Area | 100.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.1441 |
| Heavy Atoms | 31 |
| Complexity | 1251.0614 |
Chemical Identifiers
| CAS Number | 5865-62-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=CC(=C2C)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)F)C)[N+](=O)[O-] |
Product Overview
(E)-2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide (CAS 5865-62-3), with molecular formula C23H19FN4O3 and molecular weight 418.14 g/mol. IUPAC: (E)-2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide.
Chemical Property Profile of (E)-2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide
Property Insights of (E)-2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide
The XLogP value of 4.99554 indicates that (E)-2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide has 1 hydrogen bond donor(s) and 4 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 (E)-2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide?
The CAS number of (E)-2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide is 5865-62-3.
What is the molecular formula of (E)-2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide?
The molecular formula of (E)-2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide is C23H19FN4O3.
What is the molecular weight of (E)-2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide?
The molecular weight of (E)-2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide is 418.14 g/mol.
Where can I buy (E)-2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide?
You can request a quote for (E)-2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)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)-2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-3-[2,5-dimethyl-1-(4-methyl-3-nitrophenyl)pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.