1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
TL;DR: 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one (CAS 636987-80-9) is a chemical compound with molecular formula C23H19FN2O5S and molecular weight 454.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one, 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
| Molecular Formula | C23H19FN2O5S |
|---|---|
| Molecular Weight | 454.10 g/mol |
| LogP | 4.23954 |
| Topological Polar Surface Area | 99.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.09988 |
| Heavy Atoms | 32 |
| Complexity | 1246.3912 |
Chemical Identifiers
| CAS Number | 636987-80-9 |
|---|---|
| SMILES | CC1=C(SC(=N1)N2C(C(=C(C3=CC=C(C=C3)F)O)C(=O)C2=O)C4=CC(=C(C=C4)O)OC)C |
Product Overview
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one (CAS 636987-80-9), with molecular formula C23H19FN2O5S and molecular weight 454.10 g/mol. IUPAC: 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
Property Insights of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
The XLogP value of 4.23954 indicates that 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one has 2 hydrogen bond donor(s) and 7 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 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
The CAS number of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is 636987-80-9.
What is the molecular formula of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular formula of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is C23H19FN2O5S.
What is the molecular weight of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
The molecular weight of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one is 454.10 g/mol.
Where can I buy 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
You can request a quote for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-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 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.