ethyl 2-(3-hydroxy-5-(3-(isopentyloxy)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: ethyl 2-(3-hydroxy-5-(3-(isopentyloxy)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 893699-31-5) is a chemical compound with molecular formula C32H34N2O7S and molecular weight 590.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3E)-3-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-[3-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-(3-hydroxy-5-(3-(isopentyloxy)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, ethyl 2-[(3E)-3-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-[3-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-{(3E)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-[3-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C32H34N2O7S |
|---|---|
| Molecular Weight | 590.21 g/mol |
| LogP | 6.00282 |
| Topological Polar Surface Area | 115.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 590.2087 |
| Heavy Atoms | 42 |
| Complexity | 1574.4902 |
Chemical Identifiers
| CAS Number | 893699-31-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)N2C(/C(=C(/C3=CC4=C(C=C3)OC(C4)C)\O)/C(=O)C2=O)C5=CC(=CC=C5)OCCC(C)C)C |
Product Overview
ethyl 2-(3-hydroxy-5-(3-(isopentyloxy)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 893699-31-5), with molecular formula C32H34N2O7S and molecular weight 590.21 g/mol. IUPAC: ethyl 2-[(3E)-3-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-[3-(3-methylbutoxy)phenyl]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ethyl 2-(3-hydroxy-5-(3-(isopentyloxy)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of ethyl 2-(3-hydroxy-5-(3-(isopentyloxy)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 6.00282 indicates that ethyl 2-(3-hydroxy-5-(3-(isopentyloxy)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-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 115.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(3-hydroxy-5-(3-(isopentyloxy)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(3-hydroxy-5-(3-(isopentyloxy)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-(3-hydroxy-5-(3-(isopentyloxy)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of ethyl 2-(3-hydroxy-5-(3-(isopentyloxy)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 893699-31-5.
What is the molecular formula of ethyl 2-(3-hydroxy-5-(3-(isopentyloxy)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of ethyl 2-(3-hydroxy-5-(3-(isopentyloxy)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C32H34N2O7S.
What is the molecular weight of ethyl 2-(3-hydroxy-5-(3-(isopentyloxy)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of ethyl 2-(3-hydroxy-5-(3-(isopentyloxy)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 590.21 g/mol.
Where can I buy ethyl 2-(3-hydroxy-5-(3-(isopentyloxy)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
You can request a quote for ethyl 2-(3-hydroxy-5-(3-(isopentyloxy)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-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 ethyl 2-(3-hydroxy-5-(3-(isopentyloxy)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3-hydroxy-5-(3-(isopentyloxy)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-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.