(Z)-methyl 4-(3-hydroxybenzylidene)-2-methyl-5-oxo-1-phenethyl-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: (Z)-methyl 4-(3-hydroxybenzylidene)-2-methyl-5-oxo-1-phenethyl-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 330860-56-5) is a chemical compound with molecular formula C22H21NO4 and molecular weight 363.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-4-[(3-hydroxyphenyl)methylidene]-2-methyl-5-oxo-1-(2-phenylethyl)pyrrole-3-carboxylate
Also Known As: (Z)-methyl 4-(3-hydroxybenzylidene)-2-methyl-5-oxo-1-phenethyl-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-4-(3-hydroxybenzylidene)-2-methyl-5-oxo-1-(2-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate, METHYL (4Z)-4-[(3-HYDROXYPHENYL)METHYLIDENE]-2-METHYL-5-OXO-1-(2-PHENYLETHYL)-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLATE, methyl (4Z)-4-[(3-hydroxyphenyl)methylidene]-2-methyl-5-oxo-1-phenethylpyrrole-3-carboxylate, methyl 3-[(3-hydroxyphenyl)methylene]-5-methyl-2-oxo-1-(2-phenylethyl)azoline- 4-carboxylate
| Molecular Formula | C22H21NO4 |
|---|---|
| Molecular Weight | 363.15 g/mol |
| LogP | 3.3075 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.14706 |
| Heavy Atoms | 27 |
| Complexity | 928.3388 |
Chemical Identifiers
| CAS Number | 330860-56-5 |
|---|---|
| SMILES | CC1=C(/C(=C/C2=CC(=CC=C2)O)/C(=O)N1CCC3=CC=CC=C3)C(=O)OC |
Product Overview
(Z)-methyl 4-(3-hydroxybenzylidene)-2-methyl-5-oxo-1-phenethyl-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 330860-56-5), with molecular formula C22H21NO4 and molecular weight 363.15 g/mol. IUPAC: methyl (4Z)-4-[(3-hydroxyphenyl)methylidene]-2-methyl-5-oxo-1-(2-phenylethyl)pyrrole-3-carboxylate.
Chemical Property Profile of (Z)-methyl 4-(3-hydroxybenzylidene)-2-methyl-5-oxo-1-phenethyl-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of (Z)-methyl 4-(3-hydroxybenzylidene)-2-methyl-5-oxo-1-phenethyl-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 3.3075 indicates that (Z)-methyl 4-(3-hydroxybenzylidene)-2-methyl-5-oxo-1-phenethyl-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)-methyl 4-(3-hydroxybenzylidene)-2-methyl-5-oxo-1-phenethyl-4,5-dihydro-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, (Z)-methyl 4-(3-hydroxybenzylidene)-2-methyl-5-oxo-1-phenethyl-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)-methyl 4-(3-hydroxybenzylidene)-2-methyl-5-oxo-1-phenethyl-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of (Z)-methyl 4-(3-hydroxybenzylidene)-2-methyl-5-oxo-1-phenethyl-4,5-dihydro-1H-pyrrole-3-carboxylate is 330860-56-5.
What is the molecular formula of (Z)-methyl 4-(3-hydroxybenzylidene)-2-methyl-5-oxo-1-phenethyl-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of (Z)-methyl 4-(3-hydroxybenzylidene)-2-methyl-5-oxo-1-phenethyl-4,5-dihydro-1H-pyrrole-3-carboxylate is C22H21NO4.
What is the molecular weight of (Z)-methyl 4-(3-hydroxybenzylidene)-2-methyl-5-oxo-1-phenethyl-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of (Z)-methyl 4-(3-hydroxybenzylidene)-2-methyl-5-oxo-1-phenethyl-4,5-dihydro-1H-pyrrole-3-carboxylate is 363.15 g/mol.
Where can I buy (Z)-methyl 4-(3-hydroxybenzylidene)-2-methyl-5-oxo-1-phenethyl-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for (Z)-methyl 4-(3-hydroxybenzylidene)-2-methyl-5-oxo-1-phenethyl-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-hydroxybenzylidene)-2-methyl-5-oxo-1-phenethyl-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 4-(3-hydroxybenzylidene)-2-methyl-5-oxo-1-phenethyl-4,5-dihydro-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.