methyl 2-(3-(4-(benzyloxy)-3-methylbenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: methyl 2-(3-(4-(benzyloxy)-3-methylbenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 488134-99-2) is a chemical compound with molecular formula C32H28N2O8S and molecular weight 600.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3E)-2-(4-hydroxy-3-methoxyphenyl)-3-[hydroxy-(3-methyl-4-phenylmethoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: methyl 2-(3-(4-(benzyloxy)-3-methylbenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, methyl 2-[(3E)-2-(4-hydroxy-3-methoxyphenyl)-3-[hydroxy-(3-methyl-4-phenylmethoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-[(3E)-3-{[4-(benzyloxy)-3-methylphenyl](hydroxy)methylidene}-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C32H28N2O8S |
|---|---|
| Molecular Weight | 600.16 g/mol |
| LogP | 5.46604 |
| Topological Polar Surface Area | 135.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 600.1566 |
| Heavy Atoms | 43 |
| Complexity | 1762.4302 |
Chemical Identifiers
| CAS Number | 488134-99-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC(=C(C=C4)O)OC)/O)OCC5=CC=CC=C5 |
Product Overview
methyl 2-(3-(4-(benzyloxy)-3-methylbenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 488134-99-2), with molecular formula C32H28N2O8S and molecular weight 600.16 g/mol. IUPAC: methyl 2-[(3E)-2-(4-hydroxy-3-methoxyphenyl)-3-[hydroxy-(3-methyl-4-phenylmethoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of methyl 2-(3-(4-(benzyloxy)-3-methylbenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of methyl 2-(3-(4-(benzyloxy)-3-methylbenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 5.46604 indicates that methyl 2-(3-(4-(benzyloxy)-3-methylbenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-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 135.49 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(3-(4-(benzyloxy)-3-methylbenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, methyl 2-(3-(4-(benzyloxy)-3-methylbenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate has 2 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-(3-(4-(benzyloxy)-3-methylbenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of methyl 2-(3-(4-(benzyloxy)-3-methylbenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 488134-99-2.
What is the molecular formula of methyl 2-(3-(4-(benzyloxy)-3-methylbenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of methyl 2-(3-(4-(benzyloxy)-3-methylbenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C32H28N2O8S.
What is the molecular weight of methyl 2-(3-(4-(benzyloxy)-3-methylbenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of methyl 2-(3-(4-(benzyloxy)-3-methylbenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 600.16 g/mol.
Where can I buy methyl 2-(3-(4-(benzyloxy)-3-methylbenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
You can request a quote for methyl 2-(3-(4-(benzyloxy)-3-methylbenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-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-(3-(4-(benzyloxy)-3-methylbenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3-(4-(benzyloxy)-3-methylbenzoyl)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-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.