![2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]acrylonitrile structure](/static/products/3387/338786-73-5.webp)
2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]acrylonitrile
TL;DR: 2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]acrylonitrile (CAS 338786-73-5) is a chemical compound with molecular formula C21H13Cl3N2O and molecular weight 414.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methylpyrrol-2-yl]prop-2-enenitrile
Also Known As: 2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]acrylonitrile, 2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methyl-pyrrol-2-yl]prop-2-enenitrile, 2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methylpyrrol-2-yl]prop-2-enenitrile
| Molecular Formula | C21H13Cl3N2O |
|---|---|
| Molecular Weight | 414.01 g/mol |
| LogP | 6.28048 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.00934 |
| Heavy Atoms | 27 |
| Complexity | 1089.6047 |
Chemical Identifiers
| CAS Number | 338786-73-5 |
|---|---|
| SMILES | CN1C=C(C=C1C=C(C#N)C2=CC=C(C=C2)Cl)C(=O)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]acrylonitrile (CAS 338786-73-5), with molecular formula C21H13Cl3N2O and molecular weight 414.01 g/mol. IUPAC: 2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methylpyrrol-2-yl]prop-2-enenitrile.
Chemical Property Profile of 2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]acrylonitrile
Property Insights of 2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]acrylonitrile
The XLogP value of 6.28048 indicates that 2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.79 Ų, 2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]acrylonitrile 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 2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]acrylonitrile?
The CAS number of 2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]acrylonitrile is 338786-73-5.
What is the molecular formula of 2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]acrylonitrile?
The molecular formula of 2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]acrylonitrile is C21H13Cl3N2O.
What is the molecular weight of 2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]acrylonitrile?
The molecular weight of 2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]acrylonitrile is 414.01 g/mol.
Where can I buy 2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]acrylonitrile?
You can request a quote for 2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenyl)-3-[4-(2,4-dichlorobenzoyl)-1-methyl-1H-pyrrol-2-yl]acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.