3-hydroxy-4-(4-methylbenzoyl)-1-(1,3,4-thiadiazol-2-yl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one
TL;DR: 3-hydroxy-4-(4-methylbenzoyl)-1-(1,3,4-thiadiazol-2-yl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one (CAS 307541-66-8) is a chemical compound with molecular formula C21H17N3O3S and molecular weight 391.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methylphenyl)-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Also Known As: 3-hydroxy-4-(4-methylbenzoyl)-1-(1,3,4-thiadiazol-2-yl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one, F1065-0084, (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methylphenyl)-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione, 3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-1-(1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one, 3-hydroxy-5-(4-methylphenyl)-4-[(4-methylphenyl)carbonyl]-1-(1,3,4-thiadiazol- 2-yl)-3-pyrrolin-2-one
| Molecular Formula | C21H17N3O3S |
|---|---|
| Molecular Weight | 391.10 g/mol |
| LogP | 3.78124 |
| Topological Polar Surface Area | 83.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.09906 |
| Heavy Atoms | 28 |
| Complexity | 1071.0983 |
Chemical Identifiers
| CAS Number | 307541-66-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)C)\O)/C(=O)C(=O)N2C4=NN=CS4 |
Product Overview
3-hydroxy-4-(4-methylbenzoyl)-1-(1,3,4-thiadiazol-2-yl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one (CAS 307541-66-8), with molecular formula C21H17N3O3S and molecular weight 391.10 g/mol. IUPAC: (4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methylphenyl)-1-(1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione.
Chemical Property Profile of 3-hydroxy-4-(4-methylbenzoyl)-1-(1,3,4-thiadiazol-2-yl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one
Property Insights of 3-hydroxy-4-(4-methylbenzoyl)-1-(1,3,4-thiadiazol-2-yl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one
The XLogP value of 3.78124 indicates that 3-hydroxy-4-(4-methylbenzoyl)-1-(1,3,4-thiadiazol-2-yl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy-4-(4-methylbenzoyl)-1-(1,3,4-thiadiazol-2-yl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 3-hydroxy-4-(4-methylbenzoyl)-1-(1,3,4-thiadiazol-2-yl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 6 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-methylbenzoyl)-1-(1,3,4-thiadiazol-2-yl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one?
The CAS number of 3-hydroxy-4-(4-methylbenzoyl)-1-(1,3,4-thiadiazol-2-yl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one is 307541-66-8.
What is the molecular formula of 3-hydroxy-4-(4-methylbenzoyl)-1-(1,3,4-thiadiazol-2-yl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one?
The molecular formula of 3-hydroxy-4-(4-methylbenzoyl)-1-(1,3,4-thiadiazol-2-yl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one is C21H17N3O3S.
What is the molecular weight of 3-hydroxy-4-(4-methylbenzoyl)-1-(1,3,4-thiadiazol-2-yl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one?
The molecular weight of 3-hydroxy-4-(4-methylbenzoyl)-1-(1,3,4-thiadiazol-2-yl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one is 391.10 g/mol.
Where can I buy 3-hydroxy-4-(4-methylbenzoyl)-1-(1,3,4-thiadiazol-2-yl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one?
You can request a quote for 3-hydroxy-4-(4-methylbenzoyl)-1-(1,3,4-thiadiazol-2-yl)-5-(p-tolyl)-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-methylbenzoyl)-1-(1,3,4-thiadiazol-2-yl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-4-(4-methylbenzoyl)-1-(1,3,4-thiadiazol-2-yl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.