methyl 2-(2-(3-ethoxy-4-(isopentyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: methyl 2-(2-(3-ethoxy-4-(isopentyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 893697-57-9) is a chemical compound with molecular formula C33H36N2O8S and molecular weight 620.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3E)-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: methyl 2-(2-(3-ethoxy-4-(isopentyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, methyl 2-[(3E)-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-{(3E)-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C33H36N2O8S |
|---|---|
| Molecular Weight | 620.22 g/mol |
| LogP | 6.01142 |
| Topological Polar Surface Area | 124.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 620.21924 |
| Heavy Atoms | 44 |
| Complexity | 1642.3226 |
Chemical Identifiers
| CAS Number | 893697-57-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OC(C4)C)\O)/C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OC)C)OCCC(C)C |
Product Overview
methyl 2-(2-(3-ethoxy-4-(isopentyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 893697-57-9), with molecular formula C33H36N2O8S and molecular weight 620.22 g/mol. IUPAC: methyl 2-[(3E)-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of methyl 2-(2-(3-ethoxy-4-(isopentyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of methyl 2-(2-(3-ethoxy-4-(isopentyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 6.01142 indicates that methyl 2-(2-(3-ethoxy-4-(isopentyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.49 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-(3-ethoxy-4-(isopentyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, methyl 2-(2-(3-ethoxy-4-(isopentyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-(2-(3-ethoxy-4-(isopentyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of methyl 2-(2-(3-ethoxy-4-(isopentyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 893697-57-9.
What is the molecular formula of methyl 2-(2-(3-ethoxy-4-(isopentyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of methyl 2-(2-(3-ethoxy-4-(isopentyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C33H36N2O8S.
What is the molecular weight of methyl 2-(2-(3-ethoxy-4-(isopentyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of methyl 2-(2-(3-ethoxy-4-(isopentyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 620.22 g/mol.
Where can I buy methyl 2-(2-(3-ethoxy-4-(isopentyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
You can request a quote for methyl 2-(2-(3-ethoxy-4-(isopentyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(2-(3-ethoxy-4-(isopentyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-(3-ethoxy-4-(isopentyloxy)phenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.