methyl 2-(3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-3-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: methyl 2-(3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-3-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 500103-99-1) is a chemical compound with molecular formula C26H24N2O8S and molecular weight 524.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3E)-3-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: methyl 2-(3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-3-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, methyl 2-[(3E)-3-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-[(3E)-3-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-[3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-[(4-methoxy-3-methylphenyl)carbonyl]-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-{3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-[(4-methoxy-3-methylphenyl)carbonyl]-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C26H24N2O8S |
|---|---|
| Molecular Weight | 524.13 g/mol |
| LogP | 3.89564 |
| Topological Polar Surface Area | 135.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 524.12537 |
| Heavy Atoms | 37 |
| Complexity | 1458.7485 |
Chemical Identifiers
| CAS Number | 500103-99-1 |
|---|---|
| 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)OC |
Product Overview
methyl 2-(3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-3-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 500103-99-1), with molecular formula C26H24N2O8S and molecular weight 524.13 g/mol. IUPAC: methyl 2-[(3E)-3-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of methyl 2-(3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-3-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of methyl 2-(3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-3-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 3.89564 indicates that methyl 2-(3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-3-methylbenzoyl)-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 135.49 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-3-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, methyl 2-(3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-3-methylbenzoyl)-2-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-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-3-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of methyl 2-(3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-3-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 500103-99-1.
What is the molecular formula of methyl 2-(3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-3-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of methyl 2-(3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-3-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C26H24N2O8S.
What is the molecular weight of methyl 2-(3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-3-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of methyl 2-(3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-3-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 524.13 g/mol.
Where can I buy methyl 2-(3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-3-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
You can request a quote for methyl 2-(3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-3-methylbenzoyl)-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 methyl 2-(3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-3-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-3-methylbenzoyl)-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.