allyl 2-(3-hydroxy-5-(4-hydroxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: allyl 2-(3-hydroxy-5-(4-hydroxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 487036-28-2) 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.
prop-2-enyl 2-[(3E)-3-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: allyl 2-(3-hydroxy-5-(4-hydroxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, prop-2-en-1-yl 2-[(3E)-3-[hydroxy(4-methoxy-2-methylphenyl)methylidene]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, prop-2-enyl 2-[(3E)-3-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C27H24N2O7S |
|---|---|
| Molecular Weight | 520.13 g/mol |
| LogP | 4.44324 |
| Topological Polar Surface Area | 126.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.13043 |
| Heavy Atoms | 37 |
| Complexity | 1439.4314 |
Chemical Identifiers
| CAS Number | 487036-28-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC=C)C)C4=CC=C(C=C4)O)/O |
Product Overview
allyl 2-(3-hydroxy-5-(4-hydroxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 487036-28-2), with molecular formula C27H24N2O7S and molecular weight 520.13 g/mol. IUPAC: prop-2-enyl 2-[(3E)-3-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of allyl 2-(3-hydroxy-5-(4-hydroxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of allyl 2-(3-hydroxy-5-(4-hydroxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 4.44324 indicates that allyl 2-(3-hydroxy-5-(4-hydroxyphenyl)-4-(4-methoxy-2-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 126.26 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl 2-(3-hydroxy-5-(4-hydroxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, allyl 2-(3-hydroxy-5-(4-hydroxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-2-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 allyl 2-(3-hydroxy-5-(4-hydroxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of allyl 2-(3-hydroxy-5-(4-hydroxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 487036-28-2.
What is the molecular formula of allyl 2-(3-hydroxy-5-(4-hydroxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of allyl 2-(3-hydroxy-5-(4-hydroxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C27H24N2O7S.
What is the molecular weight of allyl 2-(3-hydroxy-5-(4-hydroxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of allyl 2-(3-hydroxy-5-(4-hydroxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 520.13 g/mol.
Where can I buy allyl 2-(3-hydroxy-5-(4-hydroxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
You can request a quote for allyl 2-(3-hydroxy-5-(4-hydroxyphenyl)-4-(4-methoxy-2-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 allyl 2-(3-hydroxy-5-(4-hydroxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for allyl 2-(3-hydroxy-5-(4-hydroxyphenyl)-4-(4-methoxy-2-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.