ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 836638-10-9) is a chemical compound with molecular formula C25H22N2O6S2 and molecular weight 510.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-2,3-dioxo-5-thiophen-2-ylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate, ethyl 2-[(3E)-3-{hydroxy[4-(prop-2-en-1-yloxy)phenyl]methylidene}-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, ethyl 2-[(4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-2,3-dioxo-5-thiophen-2-ylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C25H22N2O6S2 |
|---|---|
| Molecular Weight | 510.09 g/mol |
| LogP | 4.88082 |
| Topological Polar Surface Area | 106.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 510.09192 |
| Heavy Atoms | 35 |
| Complexity | 1308.1871 |
Chemical Identifiers
| CAS Number | 836638-10-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)N2C(/C(=C(/C3=CC=C(C=C3)OCC=C)\O)/C(=O)C2=O)C4=CC=CS4)C |
Product Overview
ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate (CAS 836638-10-9), with molecular formula C25H22N2O6S2 and molecular weight 510.09 g/mol. IUPAC: ethyl 2-[(4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-2,3-dioxo-5-thiophen-2-ylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 4.88082 indicates that ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-5-oxo-2-(thiophen-2-yl)-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 106.03 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-5-oxo-2-(thiophen-2-yl)-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 ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 836638-10-9.
What is the molecular formula of ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is C25H22N2O6S2.
What is the molecular weight of ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate is 510.09 g/mol.
Where can I buy ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
You can request a quote for ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-5-oxo-2-(thiophen-2-yl)-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 ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-5-oxo-2-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3-(4-(allyloxy)benzoyl)-4-hydroxy-5-oxo-2-(thiophen-2-yl)-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.