Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-chlorophenyl)-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-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 488102-99-4) is a chemical compound with molecular formula C32H27ClN2O6S and molecular weight 602.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3E)-2-(4-chlorophenyl)-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-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, 649-387-3, Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-YL)-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-[(3E)-2-(4-chlorophenyl)-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-chlorophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C32H27ClN2O6S |
|---|---|
| Molecular Weight | 602.13 g/mol |
| LogP | 6.79534 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 602.1278 |
| Heavy Atoms | 42 |
| Complexity | 1697.9258 |
Chemical Identifiers
| CAS Number | 488102-99-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)N2C(/C(=C(/C3=C(C=C(C=C3)OCC4=CC=CC=C4)C)\O)/C(=O)C2=O)C5=CC=C(C=C5)Cl)C |
Product Overview
Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 488102-99-4), with molecular formula C32H27ClN2O6S and molecular weight 602.13 g/mol. IUPAC: ethyl 2-[(3E)-2-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 6.79534 indicates that Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 488102-99-4.
What is the molecular formula of Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-chlorophenyl)-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-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C32H27ClN2O6S.
What is the molecular weight of Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-chlorophenyl)-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-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 602.13 g/mol.
Where can I buy Ethyl 2-(3-(4-(benzyloxy)-2-methylbenzoyl)-2-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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.