allyl 2-(3-hydroxy-5-(4-(methoxycarbonyl)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: allyl 2-(3-hydroxy-5-(4-(methoxycarbonyl)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 893697-00-2) is a chemical compound with molecular formula C30H26N2O8S and molecular weight 574.14 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-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-(4-methoxycarbonylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: allyl 2-(3-hydroxy-5-(4-(methoxycarbonyl)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, prop-2-en-1-yl 2-{(3E)-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate, prop-2-enyl 2-[(3E)-3-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-(4-methoxycarbonylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C30H26N2O8S |
|---|---|
| Molecular Weight | 574.14 g/mol |
| LogP | 4.53062 |
| Topological Polar Surface Area | 132.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 574.141 |
| Heavy Atoms | 41 |
| Complexity | 1621.5305 |
Chemical Identifiers
| CAS Number | 893697-00-2 |
|---|---|
| SMILES | CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)C4=NC(=C(S4)C(=O)OCC=C)C)C5=CC=C(C=C5)C(=O)OC)/O |
Product Overview
allyl 2-(3-hydroxy-5-(4-(methoxycarbonyl)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 893697-00-2), with molecular formula C30H26N2O8S and molecular weight 574.14 g/mol. IUPAC: prop-2-enyl 2-[(3E)-3-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-(4-methoxycarbonylphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of allyl 2-(3-hydroxy-5-(4-(methoxycarbonyl)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of allyl 2-(3-hydroxy-5-(4-(methoxycarbonyl)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 4.53062 indicates that allyl 2-(3-hydroxy-5-(4-(methoxycarbonyl)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-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 132.33 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl 2-(3-hydroxy-5-(4-(methoxycarbonyl)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-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-(methoxycarbonyl)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate has 1 hydrogen bond donor(s) and 10 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-(methoxycarbonyl)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of allyl 2-(3-hydroxy-5-(4-(methoxycarbonyl)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 893697-00-2.
What is the molecular formula of allyl 2-(3-hydroxy-5-(4-(methoxycarbonyl)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of allyl 2-(3-hydroxy-5-(4-(methoxycarbonyl)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C30H26N2O8S.
What is the molecular weight of allyl 2-(3-hydroxy-5-(4-(methoxycarbonyl)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of allyl 2-(3-hydroxy-5-(4-(methoxycarbonyl)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 574.14 g/mol.
Where can I buy allyl 2-(3-hydroxy-5-(4-(methoxycarbonyl)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-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-(methoxycarbonyl)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-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-(methoxycarbonyl)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-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-(methoxycarbonyl)phenyl)-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-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.