(E)-methyl 4-((5-((2-((3,4-dimethylphenyl)amino)-2-oxoacetamido)methyl)furan-2-yl)methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: (E)-methyl 4-((5-((2-((3,4-dimethylphenyl)amino)-2-oxoacetamido)methyl)furan-2-yl)methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 685121-89-5) is a chemical compound with molecular formula C23H23N3O6 and molecular weight 437.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4E)-4-[[5-[[[2-(3,4-dimethylanilino)-2-oxoacetyl]amino]methyl]furan-2-yl]methylidene]-2-methyl-5-oxo-1H-pyrrole-3-carboxylate
Also Known As: (E)-methyl 4-((5-((2-((3,4-dimethylphenyl)amino)-2-oxoacetamido)methyl)furan-2-yl)methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4E)-4-({5-[({[(3,4-dimethylphenyl)amino](oxo)acetyl}amino)methyl]furan-2-yl}methylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4E)-4-[[5-[[[2-(3,4-dimethylanilino)-2-oxoacetyl]amino]methyl]furan-2-yl]methylidene]-2-methyl-5-oxo-1H-pyrrole-3-carboxylate, METHYL (4E)-4-{[5-({[(3,4-DIMETHYLPHENYL)CARBAMOYL]FORMAMIDO}METHYL)FURAN-2-YL]METHYLIDENE}-2-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLATE
| Molecular Formula | C23H23N3O6 |
|---|---|
| Molecular Weight | 437.16 g/mol |
| LogP | 2.11154 |
| Topological Polar Surface Area | 126.74 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.1587 |
| Heavy Atoms | 32 |
| Complexity | 1172.1444 |
Chemical Identifiers
| CAS Number | 685121-89-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C(=O)NCC2=CC=C(O2)/C=C/3\C(=C(NC3=O)C)C(=O)OC)C |
Product Overview
(E)-methyl 4-((5-((2-((3,4-dimethylphenyl)amino)-2-oxoacetamido)methyl)furan-2-yl)methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 685121-89-5), with molecular formula C23H23N3O6 and molecular weight 437.16 g/mol. IUPAC: methyl (4E)-4-[[5-[[[2-(3,4-dimethylanilino)-2-oxoacetyl]amino]methyl]furan-2-yl]methylidene]-2-methyl-5-oxo-1H-pyrrole-3-carboxylate.
Chemical Property Profile of (E)-methyl 4-((5-((2-((3,4-dimethylphenyl)amino)-2-oxoacetamido)methyl)furan-2-yl)methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of (E)-methyl 4-((5-((2-((3,4-dimethylphenyl)amino)-2-oxoacetamido)methyl)furan-2-yl)methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 2.11154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-methyl 4-((5-((2-((3,4-dimethylphenyl)amino)-2-oxoacetamido)methyl)furan-2-yl)methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. The TPSA of 126.74 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4-((5-((2-((3,4-dimethylphenyl)amino)-2-oxoacetamido)methyl)furan-2-yl)methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, (E)-methyl 4-((5-((2-((3,4-dimethylphenyl)amino)-2-oxoacetamido)methyl)furan-2-yl)methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate has 3 hydrogen bond donor(s) and 6 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 (E)-methyl 4-((5-((2-((3,4-dimethylphenyl)amino)-2-oxoacetamido)methyl)furan-2-yl)methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of (E)-methyl 4-((5-((2-((3,4-dimethylphenyl)amino)-2-oxoacetamido)methyl)furan-2-yl)methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 685121-89-5.
What is the molecular formula of (E)-methyl 4-((5-((2-((3,4-dimethylphenyl)amino)-2-oxoacetamido)methyl)furan-2-yl)methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of (E)-methyl 4-((5-((2-((3,4-dimethylphenyl)amino)-2-oxoacetamido)methyl)furan-2-yl)methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is C23H23N3O6.
What is the molecular weight of (E)-methyl 4-((5-((2-((3,4-dimethylphenyl)amino)-2-oxoacetamido)methyl)furan-2-yl)methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of (E)-methyl 4-((5-((2-((3,4-dimethylphenyl)amino)-2-oxoacetamido)methyl)furan-2-yl)methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 437.16 g/mol.
Where can I buy (E)-methyl 4-((5-((2-((3,4-dimethylphenyl)amino)-2-oxoacetamido)methyl)furan-2-yl)methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for (E)-methyl 4-((5-((2-((3,4-dimethylphenyl)amino)-2-oxoacetamido)methyl)furan-2-yl)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 (E)-methyl 4-((5-((2-((3,4-dimethylphenyl)amino)-2-oxoacetamido)methyl)furan-2-yl)methylene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-((5-((2-((3,4-dimethylphenyl)amino)-2-oxoacetamido)methyl)furan-2-yl)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.