![methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate structure](/static/products/620/620561-56-0.png)
methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 620561-56-0) is a chemical compound with molecular formula C28H26N2O7S and molecular weight 534.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, methyl 2-[(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, methyl 2-{(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C28H26N2O7S |
|---|---|
| Molecular Weight | 534.15 g/mol |
| LogP | 4.75902 |
| Topological Polar Surface Area | 115.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 534.14606 |
| Heavy Atoms | 38 |
| Complexity | 1472.8077 |
Chemical Identifiers
| CAS Number | 620561-56-0 |
|---|---|
| SMILES | CC1=C(SC(=N1)N2C(/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C2=O)C5=CC=C(C=C5)C(C)C)C(=O)OC |
Product Overview
methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 620561-56-0), with molecular formula C28H26N2O7S and molecular weight 534.15 g/mol. IUPAC: methyl 2-[(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 4.75902 indicates that methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-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 115.26 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate has 1 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 methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 620561-56-0.
What is the molecular formula of methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C28H26N2O7S.
What is the molecular weight of methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 534.15 g/mol.
Where can I buy methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
You can request a quote for methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-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 methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-2-(4-isopropylphenyl)-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.