allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 499208-75-2) is a chemical compound with molecular formula C30H30N2O9S and molecular weight 594.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-[(4E)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2,3-dioxo-5-(3,4,5-trimethoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, prop-2-en-1-yl 2-[(3E)-3-[hydroxy(4-methoxy-3-methylphenyl)methylidene]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, prop-2-en-1-yl 2-{3-hydroxy-4-[(4-methoxy-3-methylphenyl)carbonyl]-2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate, prop-2-enyl 2-[(4E)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2,3-dioxo-5-(3,4,5-trimethoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C30H30N2O9S |
|---|---|
| Molecular Weight | 594.17 g/mol |
| LogP | 4.76344 |
| Topological Polar Surface Area | 133.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 594.1672 |
| Heavy Atoms | 42 |
| Complexity | 1582.9288 |
Chemical Identifiers
| CAS Number | 499208-75-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC=C)C)C4=CC(=C(C(=C4)OC)OC)OC)/O)OC |
Product Overview
allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 499208-75-2), with molecular formula C30H30N2O9S and molecular weight 594.17 g/mol. IUPAC: prop-2-enyl 2-[(4E)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-2,3-dioxo-5-(3,4,5-trimethoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 4.76344 indicates that allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-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 133.72 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate has 1 hydrogen bond donor(s) and 11 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-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 499208-75-2.
What is the molecular formula of allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C30H30N2O9S.
What is the molecular weight of allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 594.17 g/mol.
Where can I buy allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
You can request a quote for allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-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-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for allyl 2-(3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)-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.