ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(3-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(3-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 844655-08-9) is a chemical compound with molecular formula C27H24N2O7S and molecular weight 520.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3E)-2-(3-hydroxyphenyl)-3-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(3-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, ethyl 2-[(3E)-2-(3-hydroxyphenyl)-3-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-[(3E)-2-(3-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 | C27H24N2O7S |
|---|---|
| Molecular Weight | 520.13 g/mol |
| LogP | 4.52492 |
| Topological Polar Surface Area | 126.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 520.13043 |
| Heavy Atoms | 37 |
| Complexity | 1408.3628 |
Chemical Identifiers
| CAS Number | 844655-08-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)N2C(/C(=C(/C3=CC=C(C=C3)OCC=C)\O)/C(=O)C2=O)C4=CC(=CC=C4)O)C |
Product Overview
ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(3-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 844655-08-9), with molecular formula C27H24N2O7S and molecular weight 520.13 g/mol. IUPAC: ethyl 2-[(3E)-2-(3-hydroxyphenyl)-3-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(3-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(3-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 4.52492 indicates that ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(3-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 ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(3-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(3-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 ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(3-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(3-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 844655-08-9.
What is the molecular formula of ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(3-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(3-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C27H24N2O7S.
What is the molecular weight of ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(3-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(3-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 520.13 g/mol.
Where can I buy ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(3-hydroxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
You can request a quote for ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(3-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 ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-2-(3-hydroxyphenyl)-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-(allyloxy)benzoyl)-4-hydroxy-2-(3-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.