3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one
TL;DR: 3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 370576-48-0) is a chemical compound with molecular formula C23H20N4O6S and molecular weight 480.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: 3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one, (4E)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione, (4E)-4-{hydroxy[4-(propan-2-yloxy)phenyl]methylidene}-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione, 3-hydroxy-1-(5-methyl(1,3,4-thiadiazol-2-yl))-4-{[4-(methylethoxy)phenyl]carbo nyl}-5-(3-nitrophenyl)-3-pyrrolin-2-one, 3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-4-{[4-(propan-2-yloxy)phenyl]carbonyl}-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C23H20N4O6S |
|---|---|
| Molecular Weight | 480.11 g/mol |
| LogP | 4.16822 |
| Topological Polar Surface Area | 135.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.11035 |
| Heavy Atoms | 34 |
| Complexity | 1315.0044 |
Chemical Identifiers
| CAS Number | 370576-48-0 |
|---|---|
| SMILES | CC1=NN=C(S1)N2C(/C(=C(/C3=CC=C(C=C3)OC(C)C)\O)/C(=O)C2=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one (CAS 370576-48-0), with molecular formula C23H20N4O6S and molecular weight 480.11 g/mol. IUPAC: (4E)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one
Property Insights of 3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one
The XLogP value of 4.16822 indicates that 3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 9 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 3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
The CAS number of 3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one is 370576-48-0.
What is the molecular formula of 3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one is C23H20N4O6S.
What is the molecular weight of 3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one is 480.11 g/mol.
Where can I buy 3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-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 3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-4-(4-isopropoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-nitrophenyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.