3-hydroxy-4-(4-isopropoxybenzoyl)-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one
TL;DR: 3-hydroxy-4-(4-isopropoxybenzoyl)-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one (CAS 371127-34-3) is a chemical compound with molecular formula C24H23N3O5S and molecular weight 465.14 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]-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Also Known As: 3-hydroxy-4-(4-isopropoxybenzoyl)-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one, (4E)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione, (4E)-4-{hydroxy[4-(propan-2-yloxy)phenyl]methylidene}-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione, 3-hydroxy-5-(3-methoxyphenyl)-1-(5-methyl(1,3,4-thiadiazol-2-yl))-4-{[4-(methy lethoxy)phenyl]carbonyl}-3-pyrrolin-2-one, 3-hydroxy-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-{[4-(propan-2-yloxy)phenyl]carbonyl}-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C24H23N3O5S |
|---|---|
| Molecular Weight | 465.14 g/mol |
| LogP | 4.26862 |
| Topological Polar Surface Area | 101.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.13583 |
| Heavy Atoms | 33 |
| Complexity | 1232.9065 |
Chemical Identifiers
| CAS Number | 371127-34-3 |
|---|---|
| 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)OC |
Product Overview
3-hydroxy-4-(4-isopropoxybenzoyl)-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one (CAS 371127-34-3), with molecular formula C24H23N3O5S and molecular weight 465.14 g/mol. IUPAC: (4E)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione.
Chemical Property Profile of 3-hydroxy-4-(4-isopropoxybenzoyl)-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one
Property Insights of 3-hydroxy-4-(4-isopropoxybenzoyl)-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one
The XLogP value of 4.26862 indicates that 3-hydroxy-4-(4-isopropoxybenzoyl)-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy-4-(4-isopropoxybenzoyl)-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 3-hydroxy-4-(4-isopropoxybenzoyl)-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-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 3-hydroxy-4-(4-isopropoxybenzoyl)-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one?
The CAS number of 3-hydroxy-4-(4-isopropoxybenzoyl)-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one is 371127-34-3.
What is the molecular formula of 3-hydroxy-4-(4-isopropoxybenzoyl)-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one?
The molecular formula of 3-hydroxy-4-(4-isopropoxybenzoyl)-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one is C24H23N3O5S.
What is the molecular weight of 3-hydroxy-4-(4-isopropoxybenzoyl)-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one?
The molecular weight of 3-hydroxy-4-(4-isopropoxybenzoyl)-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one is 465.14 g/mol.
Where can I buy 3-hydroxy-4-(4-isopropoxybenzoyl)-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one?
You can request a quote for 3-hydroxy-4-(4-isopropoxybenzoyl)-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-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)-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-4-(4-isopropoxybenzoyl)-5-(3-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.