![(2E)-2-(4-chlorophenyl)-3-[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]prop-2-enenitrile structure](/static/products/7012/701221-29-6.webp)
(2E)-2-(4-chlorophenyl)-3-[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]prop-2-enenitrile
TL;DR: (2E)-2-(4-chlorophenyl)-3-[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]prop-2-enenitrile (CAS 701221-29-6) is a chemical compound with molecular formula C20H16ClN3 and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(4-chlorophenyl)-3-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)prop-2-enenitrile
Also Known As: (2E)-2-(4-chlorophenyl)-3-[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]prop-2-enenitrile, (E)-2-(4-chlorophenyl)-3-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)prop-2-enenitrile
| Molecular Formula | C20H16ClN3 |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 5.20672 |
| Topological Polar Surface Area | 41.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.10327 |
| Heavy Atoms | 24 |
| Complexity | 929.51044 |
Chemical Identifiers
| CAS Number | 701221-29-6 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=N2)C)/C=C(/C#N)\C3=CC=C(C=C3)Cl |
Product Overview
(2E)-2-(4-chlorophenyl)-3-[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]prop-2-enenitrile (CAS 701221-29-6), with molecular formula C20H16ClN3 and molecular weight 333.10 g/mol. IUPAC: (E)-2-(4-chlorophenyl)-3-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)prop-2-enenitrile.
Chemical Property Profile of (2E)-2-(4-chlorophenyl)-3-[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]prop-2-enenitrile
Property Insights of (2E)-2-(4-chlorophenyl)-3-[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]prop-2-enenitrile
The XLogP value of 5.20672 indicates that (2E)-2-(4-chlorophenyl)-3-[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.61 Ų, (2E)-2-(4-chlorophenyl)-3-[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-(4-chlorophenyl)-3-[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]prop-2-enenitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-2-(4-chlorophenyl)-3-[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]prop-2-enenitrile?
The CAS number of (2E)-2-(4-chlorophenyl)-3-[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]prop-2-enenitrile is 701221-29-6.
What is the molecular formula of (2E)-2-(4-chlorophenyl)-3-[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]prop-2-enenitrile?
The molecular formula of (2E)-2-(4-chlorophenyl)-3-[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]prop-2-enenitrile is C20H16ClN3.
What is the molecular weight of (2E)-2-(4-chlorophenyl)-3-[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]prop-2-enenitrile?
The molecular weight of (2E)-2-(4-chlorophenyl)-3-[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]prop-2-enenitrile is 333.10 g/mol.
Where can I buy (2E)-2-(4-chlorophenyl)-3-[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]prop-2-enenitrile?
You can request a quote for (2E)-2-(4-chlorophenyl)-3-[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-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 (2E)-2-(4-chlorophenyl)-3-[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(4-chlorophenyl)-3-[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.