methyl (4Z)-4-(3-ethoxy-4-hydroxybenzylidene)-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: methyl (4Z)-4-(3-ethoxy-4-hydroxybenzylidene)-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 593241-85-1) is a chemical compound with molecular formula C18H21NO5 and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1-ethyl-2-methyl-5-oxopyrrole-3-carboxylate
Also Known As: methyl (4Z)-4-(3-ethoxy-4-hydroxybenzylidene)-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, (Z)-methyl 4-(3-ethoxy-4-hydroxybenzylidene)-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1-ethyl-2-methyl-5-oxopyrrole-3-carboxylate
| Molecular Formula | C18H21NO5 |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 2.4834 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.14197 |
| Heavy Atoms | 24 |
| Complexity | 732.9247 |
Chemical Identifiers
| CAS Number | 593241-85-1 |
|---|---|
| SMILES | CCN1C(=C(/C(=C/C2=CC(=C(C=C2)O)OCC)/C1=O)C(=O)OC)C |
Product Overview
methyl (4Z)-4-(3-ethoxy-4-hydroxybenzylidene)-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 593241-85-1), with molecular formula C18H21NO5 and molecular weight 331.14 g/mol. IUPAC: methyl (4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1-ethyl-2-methyl-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of methyl (4Z)-4-(3-ethoxy-4-hydroxybenzylidene)-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of methyl (4Z)-4-(3-ethoxy-4-hydroxybenzylidene)-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 2.4834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (4Z)-4-(3-ethoxy-4-hydroxybenzylidene)-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (4Z)-4-(3-ethoxy-4-hydroxybenzylidene)-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, methyl (4Z)-4-(3-ethoxy-4-hydroxybenzylidene)-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 5 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 methyl (4Z)-4-(3-ethoxy-4-hydroxybenzylidene)-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of methyl (4Z)-4-(3-ethoxy-4-hydroxybenzylidene)-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 593241-85-1.
What is the molecular formula of methyl (4Z)-4-(3-ethoxy-4-hydroxybenzylidene)-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of methyl (4Z)-4-(3-ethoxy-4-hydroxybenzylidene)-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is C18H21NO5.
What is the molecular weight of methyl (4Z)-4-(3-ethoxy-4-hydroxybenzylidene)-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of methyl (4Z)-4-(3-ethoxy-4-hydroxybenzylidene)-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 331.14 g/mol.
Where can I buy methyl (4Z)-4-(3-ethoxy-4-hydroxybenzylidene)-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for methyl (4Z)-4-(3-ethoxy-4-hydroxybenzylidene)-1-ethyl-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 methyl (4Z)-4-(3-ethoxy-4-hydroxybenzylidene)-1-ethyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (4Z)-4-(3-ethoxy-4-hydroxybenzylidene)-1-ethyl-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.