![methyl 4-[(4-isopropylanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate structure](/static/products/4778/477865-69-3.webp)
methyl 4-[(4-isopropylanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: methyl 4-[(4-isopropylanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 477865-69-3) is a chemical compound with molecular formula C17H20N2O3 and molecular weight 300.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-hydroxy-2-methyl-4-[(4-propan-2-ylphenyl)iminomethyl]-1H-pyrrole-3-carboxylate
Also Known As: methyl 4-[(4-isopropylanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-2-methyl-5-oxo-4-({[4-(propan-2-yl)phenyl]amino}methylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4E)-2-methyl-5-oxo-4-[(4-propan-2-ylanilino)methylidene]-1H-pyrrole-3-carboxylate, (4E)-4-(cumidinomethylene)-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester, methyl (4Z)-2-methyl-5-oxo-4-[(4-propan-2-ylanilino)methylidene]-1H-pyrrole-3-carboxylate
| Molecular Formula | C17H20N2O3 |
|---|---|
| Molecular Weight | 300.15 g/mol |
| LogP | 3.68932 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.1474 |
| Heavy Atoms | 22 |
| Complexity | 697.4393 |
Chemical Identifiers
| CAS Number | 477865-69-3 |
|---|---|
| SMILES | CC1=C(C(=C(N1)O)C=NC2=CC=C(C=C2)C(C)C)C(=O)OC |
Product Overview
methyl 4-[(4-isopropylanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 477865-69-3), with molecular formula C17H20N2O3 and molecular weight 300.15 g/mol. IUPAC: methyl 5-hydroxy-2-methyl-4-[(4-propan-2-ylphenyl)iminomethyl]-1H-pyrrole-3-carboxylate.
Chemical Property Profile of methyl 4-[(4-isopropylanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of methyl 4-[(4-isopropylanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 3.68932 indicates that methyl 4-[(4-isopropylanilino)methylene]-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 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[(4-isopropylanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, methyl 4-[(4-isopropylanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate has 2 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 methyl 4-[(4-isopropylanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of methyl 4-[(4-isopropylanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 477865-69-3.
What is the molecular formula of methyl 4-[(4-isopropylanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 4-[(4-isopropylanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is C17H20N2O3.
What is the molecular weight of methyl 4-[(4-isopropylanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 4-[(4-isopropylanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 300.15 g/mol.
Where can I buy methyl 4-[(4-isopropylanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 4-[(4-isopropylanilino)methylene]-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 4-[(4-isopropylanilino)methylene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(4-isopropylanilino)methylene]-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.