4-(1-benzofuran-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 4-(1-benzofuran-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one (CAS 618870-32-9) is a chemical compound with molecular formula C23H17N3O5S and molecular weight 447.09 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-2-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
Also Known As: 4-(1-benzofuran-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one, 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one, 4-(1-benzofuran-2-ylcarbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C23H17N3O5S |
|---|---|
| Molecular Weight | 447.09 g/mol |
| LogP | 4.38422 |
| Topological Polar Surface Area | 105.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.0889 |
| Heavy Atoms | 32 |
| Complexity | 1353.1647 |
Chemical Identifiers
| CAS Number | 618870-32-9 |
|---|---|
| SMILES | CC1=NN=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CC=C(C=C5)OC |
Product Overview
4-(1-benzofuran-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one (CAS 618870-32-9), with molecular formula C23H17N3O5S and molecular weight 447.09 g/mol. IUPAC: 3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one.
Chemical Property Profile of 4-(1-benzofuran-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 4-(1-benzofuran-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 4.38422 indicates that 4-(1-benzofuran-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-benzofuran-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 4-(1-benzofuran-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1-benzofuran-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 4-(1-benzofuran-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one is 618870-32-9.
What is the molecular formula of 4-(1-benzofuran-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 4-(1-benzofuran-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one is C23H17N3O5S.
What is the molecular weight of 4-(1-benzofuran-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 4-(1-benzofuran-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one is 447.09 g/mol.
Where can I buy 4-(1-benzofuran-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
You can request a quote for 4-(1-benzofuran-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-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-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-benzofuran-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.