![allyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate structure](/static/products/620/620563-47-5.png)
allyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: allyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 620563-47-5) is a chemical compound with molecular formula C27H21FN2O7S and molecular weight 536.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: allyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, prop-2-en-1-yl 2-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, prop-2-enyl 2-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C27H21FN2O7S |
|---|---|
| Molecular Weight | 536.11 g/mol |
| LogP | 4.33092 |
| Topological Polar Surface Area | 115.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 536.10535 |
| Heavy Atoms | 38 |
| Complexity | 1512.785 |
Chemical Identifiers
| CAS Number | 620563-47-5 |
|---|---|
| SMILES | CC1=C(SC(=N1)N2C(/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C2=O)C5=CC=CC=C5F)C(=O)OCC=C |
Product Overview
allyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 620563-47-5), with molecular formula C27H21FN2O7S and molecular weight 536.11 g/mol. IUPAC: prop-2-enyl 2-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of allyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of allyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 4.33092 indicates that allyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-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 allyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, allyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-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 allyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of allyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 620563-47-5.
What is the molecular formula of allyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of allyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C27H21FN2O7S.
What is the molecular weight of allyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of allyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 536.11 g/mol.
Where can I buy allyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
You can request a quote for allyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-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-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for allyl 2-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-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.