allyl 2-(2-(4-(benzyloxy)-3-ethoxyphenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: allyl 2-(2-(4-(benzyloxy)-3-ethoxyphenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 893696-96-3) is a chemical compound with molecular formula C37H34N2O8S and molecular weight 666.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-[(3E)-2-(3-ethoxy-4-phenylmethoxyphenyl)-3-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: allyl 2-(2-(4-(benzyloxy)-3-ethoxyphenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, prop-2-en-1-yl 2-{(3E)-2-[4-(benzyloxy)-3-ethoxyphenyl]-3-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate, prop-2-enyl 2-[(3E)-2-(3-ethoxy-4-phenylmethoxyphenyl)-3-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C37H34N2O8S |
|---|---|
| Molecular Weight | 666.20 g/mol |
| LogP | 6.72172 |
| Topological Polar Surface Area | 124.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 666.2036 |
| Heavy Atoms | 48 |
| Complexity | 1932.679 |
Chemical Identifiers
| CAS Number | 893696-96-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OC(C4)C)\O)/C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OCC=C)C)OCC6=CC=CC=C6 |
Product Overview
allyl 2-(2-(4-(benzyloxy)-3-ethoxyphenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 893696-96-3), with molecular formula C37H34N2O8S and molecular weight 666.20 g/mol. IUPAC: prop-2-enyl 2-[(3E)-2-(3-ethoxy-4-phenylmethoxyphenyl)-3-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of allyl 2-(2-(4-(benzyloxy)-3-ethoxyphenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of allyl 2-(2-(4-(benzyloxy)-3-ethoxyphenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 6.72172 indicates that allyl 2-(2-(4-(benzyloxy)-3-ethoxyphenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-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 124.49 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl 2-(2-(4-(benzyloxy)-3-ethoxyphenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, allyl 2-(2-(4-(benzyloxy)-3-ethoxyphenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-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-(2-(4-(benzyloxy)-3-ethoxyphenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of allyl 2-(2-(4-(benzyloxy)-3-ethoxyphenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 893696-96-3.
What is the molecular formula of allyl 2-(2-(4-(benzyloxy)-3-ethoxyphenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of allyl 2-(2-(4-(benzyloxy)-3-ethoxyphenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C37H34N2O8S.
What is the molecular weight of allyl 2-(2-(4-(benzyloxy)-3-ethoxyphenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of allyl 2-(2-(4-(benzyloxy)-3-ethoxyphenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 666.20 g/mol.
Where can I buy allyl 2-(2-(4-(benzyloxy)-3-ethoxyphenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
You can request a quote for allyl 2-(2-(4-(benzyloxy)-3-ethoxyphenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-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-(benzyloxy)-3-ethoxyphenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-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-(benzyloxy)-3-ethoxyphenyl)-4-hydroxy-3-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-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.