(Z)-ethyl 1-(4-bromophenyl)-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: (Z)-ethyl 1-(4-bromophenyl)-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 331450-41-0) is a chemical compound with molecular formula C21H18BrNO4 and molecular weight 427.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (4Z)-1-(4-bromophenyl)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
Also Known As: (Z)-ethyl 1-(4-bromophenyl)-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, ethyl (4Z)-1-(4-bromophenyl)-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, ETHYL (4Z)-1-(4-BROMOPHENYL)-4-[(4-HYDROXYPHENYL)METHYLIDENE]-2-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLATE, ethyl (4Z)-1-(4-bromophenyl)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
| Molecular Formula | C21H18BrNO4 |
|---|---|
| Molecular Weight | 427.04 g/mol |
| LogP | 4.422 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.04193 |
| Heavy Atoms | 27 |
| Complexity | 943.15186 |
Chemical Identifiers
| CAS Number | 331450-41-0 |
|---|---|
| SMILES | CCOC(=O)C\1=C(N(C(=O)/C1=C\C2=CC=C(C=C2)O)C3=CC=C(C=C3)Br)C |
Product Overview
(Z)-ethyl 1-(4-bromophenyl)-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 331450-41-0), with molecular formula C21H18BrNO4 and molecular weight 427.04 g/mol. IUPAC: ethyl (4Z)-1-(4-bromophenyl)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of (Z)-ethyl 1-(4-bromophenyl)-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of (Z)-ethyl 1-(4-bromophenyl)-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 4.422 indicates that (Z)-ethyl 1-(4-bromophenyl)-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 1-(4-bromophenyl)-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, (Z)-ethyl 1-(4-bromophenyl)-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate 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 (Z)-ethyl 1-(4-bromophenyl)-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of (Z)-ethyl 1-(4-bromophenyl)-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 331450-41-0.
What is the molecular formula of (Z)-ethyl 1-(4-bromophenyl)-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of (Z)-ethyl 1-(4-bromophenyl)-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is C21H18BrNO4.
What is the molecular weight of (Z)-ethyl 1-(4-bromophenyl)-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of (Z)-ethyl 1-(4-bromophenyl)-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 427.04 g/mol.
Where can I buy (Z)-ethyl 1-(4-bromophenyl)-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for (Z)-ethyl 1-(4-bromophenyl)-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-ethyl 1-(4-bromophenyl)-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 1-(4-bromophenyl)-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.