allyl 2-(2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: allyl 2-(2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 500280-01-3) is a chemical compound with molecular formula C29H28N2O6S and molecular weight 532.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-[(3E)-2-(4-ethylphenyl)-3-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: allyl 2-(2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, prop-2-en-1-yl 2-{(3E)-2-(4-ethylphenyl)-3-[hydroxy(4-methoxy-2-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate, prop-2-en-1-yl 2-{2-(4-ethylphenyl)-4-hydroxy-3-[(4-methoxy-2-methylphenyl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate, prop-2-enyl 2-[(3E)-2-(4-ethylphenyl)-3-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C29H28N2O6S |
|---|---|
| Molecular Weight | 532.17 g/mol |
| LogP | 5.30004 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 532.1668 |
| Heavy Atoms | 38 |
| Complexity | 1454.1965 |
Chemical Identifiers
| CAS Number | 500280-01-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2/C(=C(/C3=C(C=C(C=C3)OC)C)\O)/C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OCC=C)C |
Product Overview
allyl 2-(2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 500280-01-3), with molecular formula C29H28N2O6S and molecular weight 532.17 g/mol. IUPAC: prop-2-enyl 2-[(3E)-2-(4-ethylphenyl)-3-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of allyl 2-(2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of allyl 2-(2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 5.30004 indicates that allyl 2-(2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-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 allyl 2-(2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, allyl 2-(2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-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 allyl 2-(2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of allyl 2-(2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 500280-01-3.
What is the molecular formula of allyl 2-(2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of allyl 2-(2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C29H28N2O6S.
What is the molecular weight of allyl 2-(2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of allyl 2-(2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 532.17 g/mol.
Where can I buy allyl 2-(2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
You can request a quote for allyl 2-(2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-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 allyl 2-(2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for allyl 2-(2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxy-2-methylbenzoyl)-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.