![3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one structure](/static/products/893/893699-70-2.png)
3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one
TL;DR: 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one (CAS 893699-70-2) is a chemical compound with molecular formula C31H28N2O7S and molecular weight 572.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one, (4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione, (4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
| Molecular Formula | C31H28N2O7S |
|---|---|
| Molecular Weight | 572.16 g/mol |
| LogP | 5.58022 |
| Topological Polar Surface Area | 107.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 572.16174 |
| Heavy Atoms | 41 |
| Complexity | 1733.6953 |
Chemical Identifiers
| CAS Number | 893699-70-2 |
|---|---|
| SMILES | CC1CC2=C(O1)C=CC(=C2)/C(=C\3/C(N(C(=O)C3=O)C4=NC5=C(S4)C=C(C=C5)C)C6=CC(=C(C(=C6)OC)OC)OC)/O |
Product Overview
3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one (CAS 893699-70-2), with molecular formula C31H28N2O7S and molecular weight 572.16 g/mol. IUPAC: (4E)-4-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one
Property Insights of 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one
The XLogP value of 5.58022 indicates that 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-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 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one?
The CAS number of 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one is 893699-70-2.
What is the molecular formula of 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one is C31H28N2O7S.
What is the molecular weight of 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one is 572.16 g/mol.
Where can I buy 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-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 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-4-(2-methyl-2,3-dihydrobenzofuran-5-carbonyl)-1-(6-methylbenzo[d]thiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.