Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-ethylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-ethylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 488803-76-5) is a chemical compound with molecular formula C34H32N2O6S and molecular weight 596.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3E)-2-(4-ethylphenyl)-3-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-ethylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, ethyl 2-[(3E)-2-(4-ethylphenyl)-3-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-[(3E)-3-{[4-(benzyloxy)-2-methylphenyl](hydroxy)methylidene}-2-(4-ethylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C34H32N2O6S |
|---|---|
| Molecular Weight | 596.20 g/mol |
| LogP | 6.70434 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 596.1981 |
| Heavy Atoms | 43 |
| Complexity | 1708.6641 |
Chemical Identifiers
| CAS Number | 488803-76-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2/C(=C(/C3=C(C=C(C=C3)OCC4=CC=CC=C4)C)\O)/C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OCC)C |
Product Overview
Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-ethylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 488803-76-5), with molecular formula C34H32N2O6S and molecular weight 596.20 g/mol. IUPAC: ethyl 2-[(3E)-2-(4-ethylphenyl)-3-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-ethylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-ethylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 6.70434 indicates that Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-ethylphenyl)-4-hydroxy-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 106.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-ethylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-ethylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate has 1 hydrogen bond donor(s) and 8 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-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-ethylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-ethylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 488803-76-5.
What is the molecular formula of Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-ethylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-ethylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C34H32N2O6S.
What is the molecular weight of Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-ethylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-ethylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 596.20 g/mol.
Where can I buy Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-ethylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
You can request a quote for Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-ethylphenyl)-4-hydroxy-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 Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-ethylphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-ethylphenyl)-4-hydroxy-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.