5-((3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-2,3-dihydrothiazol-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-((3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-2,3-dihydrothiazol-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 896594-96-0) is a chemical compound with molecular formula C27H27N5O4S and molecular weight 517.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-((3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-2,3-dihydrothiazol-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[[3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 5-{[3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-2,3-dihydro-1,3-thiazol-5-yl]methylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C27H27N5O4S |
|---|---|
| Molecular Weight | 517.18 g/mol |
| LogP | 2.7185 |
| Topological Polar Surface Area | 86.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 517.1784 |
| Heavy Atoms | 37 |
| Complexity | 1395.9781 |
Chemical Identifiers
| CAS Number | 896594-96-0 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=C(N(C(=O)S2)CC3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5)C(=O)N(C1=O)C |
Product Overview
5-((3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-2,3-dihydrothiazol-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 896594-96-0), with molecular formula C27H27N5O4S and molecular weight 517.18 g/mol. IUPAC: 5-[[3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-((3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-2,3-dihydrothiazol-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-((3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-2,3-dihydrothiazol-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 2.7185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-2,3-dihydrothiazol-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 86.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-2,3-dihydrothiazol-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 5-((3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-2,3-dihydrothiazol-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-((3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-2,3-dihydrothiazol-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-((3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-2,3-dihydrothiazol-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 896594-96-0.
What is the molecular formula of 5-((3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-2,3-dihydrothiazol-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-((3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-2,3-dihydrothiazol-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is C27H27N5O4S.
What is the molecular weight of 5-((3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-2,3-dihydrothiazol-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-((3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-2,3-dihydrothiazol-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 517.18 g/mol.
Where can I buy 5-((3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-2,3-dihydrothiazol-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-((3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-2,3-dihydrothiazol-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-2,3-dihydrothiazol-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-((3-benzyl-2-oxo-4-(4-phenylpiperazin-1-yl)-2,3-dihydrothiazol-5-yl)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.