4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
TL;DR: 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one (CAS 618871-98-0) is a chemical compound with molecular formula C33H22N2O5S and molecular weight 558.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one
Also Known As: 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one, AF-399/42017475, 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one
| Molecular Formula | C33H22N2O5S |
|---|---|
| Molecular Weight | 558.12 g/mol |
| LogP | 7.92612 |
| Topological Polar Surface Area | 92.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 558.12494 |
| Heavy Atoms | 41 |
| Complexity | 1973.5563 |
Chemical Identifiers
| CAS Number | 618871-98-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C4=CC5=CC=CC=C5O4)C6=CC(=CC=C6)OC7=CC=CC=C7 |
Product Overview
4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one (CAS 618871-98-0), with molecular formula C33H22N2O5S and molecular weight 558.12 g/mol. IUPAC: 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenyl)-2H-pyrrol-5-one.
Chemical Property Profile of 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
Property Insights of 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
The XLogP value of 7.92612 indicates that 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one. Following Lipinski's Rule of Five, 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one?
The CAS number of 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one is 618871-98-0.
What is the molecular formula of 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one?
The molecular formula of 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one is C33H22N2O5S.
What is the molecular weight of 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one?
The molecular weight of 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one is 558.12 g/mol.
Where can I buy 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one?
You can request a quote for 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.