(Z)-methyl 4-(3-ethoxy-4-hydroxybenzylidene)-1-isobutyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: (Z)-methyl 4-(3-ethoxy-4-hydroxybenzylidene)-1-isobutyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 359807-16-2) is a chemical compound with molecular formula C20H25NO5 and molecular weight 359.17 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]-2-methyl-1-(2-methylpropyl)-5-oxopyrrole-3-carboxylate
Also Known As: (Z)-methyl 4-(3-ethoxy-4-hydroxybenzylidene)-1-isobutyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-4-(3-ethoxy-4-hydroxybenzylidene)-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, METHYL (4Z)-4-[(3-ETHOXY-4-HYDROXYPHENYL)METHYLIDENE]-2-METHYL-1-(2-METHYLPROPYL)-5-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLATE, methyl (4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxopyrrole-3-carboxylate
| Molecular Formula | C20H25NO5 |
|---|---|
| Molecular Weight | 359.17 g/mol |
| LogP | 3.1195 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.17328 |
| Heavy Atoms | 26 |
| Complexity | 776.40625 |
Chemical Identifiers
| CAS Number | 359807-16-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=C(N(C2=O)CC(C)C)C)C(=O)OC)O |
Product Overview
(Z)-methyl 4-(3-ethoxy-4-hydroxybenzylidene)-1-isobutyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 359807-16-2), with molecular formula C20H25NO5 and molecular weight 359.17 g/mol. IUPAC: methyl (4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of (Z)-methyl 4-(3-ethoxy-4-hydroxybenzylidene)-1-isobutyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of (Z)-methyl 4-(3-ethoxy-4-hydroxybenzylidene)-1-isobutyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 3.1195 indicates that (Z)-methyl 4-(3-ethoxy-4-hydroxybenzylidene)-1-isobutyl-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 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 4-(3-ethoxy-4-hydroxybenzylidene)-1-isobutyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, (Z)-methyl 4-(3-ethoxy-4-hydroxybenzylidene)-1-isobutyl-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 (Z)-methyl 4-(3-ethoxy-4-hydroxybenzylidene)-1-isobutyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of (Z)-methyl 4-(3-ethoxy-4-hydroxybenzylidene)-1-isobutyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 359807-16-2.
What is the molecular formula of (Z)-methyl 4-(3-ethoxy-4-hydroxybenzylidene)-1-isobutyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of (Z)-methyl 4-(3-ethoxy-4-hydroxybenzylidene)-1-isobutyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is C20H25NO5.
What is the molecular weight of (Z)-methyl 4-(3-ethoxy-4-hydroxybenzylidene)-1-isobutyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of (Z)-methyl 4-(3-ethoxy-4-hydroxybenzylidene)-1-isobutyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 359.17 g/mol.
Where can I buy (Z)-methyl 4-(3-ethoxy-4-hydroxybenzylidene)-1-isobutyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for (Z)-methyl 4-(3-ethoxy-4-hydroxybenzylidene)-1-isobutyl-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)-methyl 4-(3-ethoxy-4-hydroxybenzylidene)-1-isobutyl-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-(3-ethoxy-4-hydroxybenzylidene)-1-isobutyl-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.