![1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one structure](/static/products/893/893697-44-4.png)
1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one
TL;DR: 1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 893697-44-4) is a chemical compound with molecular formula C29H23N3O7S and molecular weight 557.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: 1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one, (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione, (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
| Molecular Formula | C29H23N3O7S |
|---|---|
| Molecular Weight | 557.13 g/mol |
| LogP | 5.5529 |
| Topological Polar Surface Area | 132.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 557.1257 |
| Heavy Atoms | 40 |
| Complexity | 1744.731 |
Chemical Identifiers
| CAS Number | 893697-44-4 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)N3C(/C(=C(/C4=CC5=C(C=C4)OC(C5)C)\O)/C(=O)C3=O)C6=CC(=CC=C6)[N+](=O)[O-] |
Product Overview
1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 893697-44-4), with molecular formula C29H23N3O7S and molecular weight 557.13 g/mol. IUPAC: (4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one
Property Insights of 1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one
The XLogP value of 5.5529 indicates that 1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one 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 1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
The CAS number of 1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one is 893697-44-4.
What is the molecular formula of 1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one is C29H23N3O7S.
What is the molecular weight of 1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one is 557.13 g/mol.
Where can I buy 1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.