![(2E)-3-[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile structure](/static/products/7012/701245-47-8.webp)
(2E)-3-[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile
TL;DR: (2E)-3-[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile (CAS 701245-47-8) is a chemical compound with molecular formula C20H16N4O2 and molecular weight 344.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)-2-(4-nitrophenyl)prop-2-enenitrile
Also Known As: (2E)-3-[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile, (E)-3-(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)-2-(4-nitrophenyl)prop-2-enenitrile
| Molecular Formula | C20H16N4O2 |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | 4.46152 |
| Topological Polar Surface Area | 84.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.12732 |
| Heavy Atoms | 26 |
| Complexity | 1026.1683 |
Chemical Identifiers
| CAS Number | 701245-47-8 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=NC=C2)C)/C=C(/C#N)\C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(2E)-3-[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile (CAS 701245-47-8), with molecular formula C20H16N4O2 and molecular weight 344.13 g/mol. IUPAC: (E)-3-(2,5-dimethyl-1-pyridin-4-ylpyrrol-3-yl)-2-(4-nitrophenyl)prop-2-enenitrile.
Chemical Property Profile of (2E)-3-[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile
Property Insights of (2E)-3-[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile
The XLogP value of 4.46152 indicates that (2E)-3-[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-3-[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile has 0 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 (2E)-3-[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile?
The CAS number of (2E)-3-[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile is 701245-47-8.
What is the molecular formula of (2E)-3-[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile?
The molecular formula of (2E)-3-[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile is C20H16N4O2.
What is the molecular weight of (2E)-3-[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile?
The molecular weight of (2E)-3-[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile is 344.13 g/mol.
Where can I buy (2E)-3-[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile?
You can request a quote for (2E)-3-[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]-2-(4-nitrophenyl)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 (2E)-3-[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]-2-(4-nitrophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.