methyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: methyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 848742-39-2) is a chemical compound with molecular formula C26H22N2O7S and molecular weight 506.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3E)-2-(4-hydroxyphenyl)-3-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: methyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, methyl 2-[(3E)-2-(4-hydroxyphenyl)-3-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-[(3E)-2-(4-hydroxyphenyl)-3-{hydroxy[4-(prop-2-en-1-yloxy)phenyl]methylidene}-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C26H22N2O7S |
|---|---|
| Molecular Weight | 506.11 g/mol |
| LogP | 4.13482 |
| Topological Polar Surface Area | 126.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 506.11478 |
| Heavy Atoms | 36 |
| Complexity | 1374.2792 |
Chemical Identifiers
| CAS Number | 848742-39-2 |
|---|---|
| SMILES | CC1=C(SC(=N1)N2C(/C(=C(/C3=CC=C(C=C3)OCC=C)\O)/C(=O)C2=O)C4=CC=C(C=C4)O)C(=O)OC |
Product Overview
methyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 848742-39-2), with molecular formula C26H22N2O7S and molecular weight 506.11 g/mol. IUPAC: methyl 2-[(3E)-2-(4-hydroxyphenyl)-3-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of methyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of methyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 4.13482 indicates that methyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(4-hydroxyphenyl)-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 126.26 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, methyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate has 2 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 methyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of methyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 848742-39-2.
What is the molecular formula of methyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of methyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C26H22N2O7S.
What is the molecular weight of methyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of methyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 506.11 g/mol.
Where can I buy methyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
You can request a quote for methyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(4-hydroxyphenyl)-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-(allyloxy)benzoyl)-4-hydroxy-2-(4-hydroxyphenyl)-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-(allyloxy)benzoyl)-4-hydroxy-2-(4-hydroxyphenyl)-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.