1,3-Dimethyl-5-(2-oxo-3-phenyl-4-piperidin-1-yl-2,3-dihydro-thiazol-5-ylmethylene)-pyrimidine-2,4,6-trio ne
TL;DR: 1,3-Dimethyl-5-(2-oxo-3-phenyl-4-piperidin-1-yl-2,3-dihydro-thiazol-5-ylmethylene)-pyrimidine-2,4,6-trio ne (CAS 896078-38-9) is a chemical compound with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-[(2-oxo-3-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: 1,3-Dimethyl-5-(2-oxo-3-phenyl-4-piperidin-1-yl-2,3-dihydro-thiazol-5-ylmethylene)-pyrimidine-2,4,6-trio ne, 1,3-dimethyl-5-[(2-oxo-3-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione, 5-[(2-keto-3-phenyl-4-piperidino-4-thiazolin-5-yl)methylene]-1,3-dimethyl-barbituric acid, 1,3-dimethyl-5-((2-oxo-3-phenyl-4-(piperidin-1-yl)-2,3-dihydrothiazol-5-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1,3-dimethyl-5-[(2-oxidanylidene-3-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C21H22N4O4S |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 2.3231 |
| Topological Polar Surface Area | 82.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.13617 |
| Heavy Atoms | 30 |
| Complexity | 1069.9548 |
Chemical Identifiers
| CAS Number | 896078-38-9 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=C(N(C(=O)S2)C3=CC=CC=C3)N4CCCCC4)C(=O)N(C1=O)C |
Product Overview
1,3-Dimethyl-5-(2-oxo-3-phenyl-4-piperidin-1-yl-2,3-dihydro-thiazol-5-ylmethylene)-pyrimidine-2,4,6-trio ne (CAS 896078-38-9), with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol. IUPAC: 1,3-dimethyl-5-[(2-oxo-3-phenyl-4-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1,3-Dimethyl-5-(2-oxo-3-phenyl-4-piperidin-1-yl-2,3-dihydro-thiazol-5-ylmethylene)-pyrimidine-2,4,6-trio ne
Property Insights of 1,3-Dimethyl-5-(2-oxo-3-phenyl-4-piperidin-1-yl-2,3-dihydro-thiazol-5-ylmethylene)-pyrimidine-2,4,6-trio ne
The XLogP value of 2.3231 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-5-(2-oxo-3-phenyl-4-piperidin-1-yl-2,3-dihydro-thiazol-5-ylmethylene)-pyrimidine-2,4,6-trio ne. The TPSA of 82.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-5-(2-oxo-3-phenyl-4-piperidin-1-yl-2,3-dihydro-thiazol-5-ylmethylene)-pyrimidine-2,4,6-trio ne. Following Lipinski's Rule of Five, 1,3-Dimethyl-5-(2-oxo-3-phenyl-4-piperidin-1-yl-2,3-dihydro-thiazol-5-ylmethylene)-pyrimidine-2,4,6-trio ne has 0 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 1,3-Dimethyl-5-(2-oxo-3-phenyl-4-piperidin-1-yl-2,3-dihydro-thiazol-5-ylmethylene)-pyrimidine-2,4,6-trio ne?
The CAS number of 1,3-Dimethyl-5-(2-oxo-3-phenyl-4-piperidin-1-yl-2,3-dihydro-thiazol-5-ylmethylene)-pyrimidine-2,4,6-trio ne is 896078-38-9.
What is the molecular formula of 1,3-Dimethyl-5-(2-oxo-3-phenyl-4-piperidin-1-yl-2,3-dihydro-thiazol-5-ylmethylene)-pyrimidine-2,4,6-trio ne?
The molecular formula of 1,3-Dimethyl-5-(2-oxo-3-phenyl-4-piperidin-1-yl-2,3-dihydro-thiazol-5-ylmethylene)-pyrimidine-2,4,6-trio ne is C21H22N4O4S.
What is the molecular weight of 1,3-Dimethyl-5-(2-oxo-3-phenyl-4-piperidin-1-yl-2,3-dihydro-thiazol-5-ylmethylene)-pyrimidine-2,4,6-trio ne?
The molecular weight of 1,3-Dimethyl-5-(2-oxo-3-phenyl-4-piperidin-1-yl-2,3-dihydro-thiazol-5-ylmethylene)-pyrimidine-2,4,6-trio ne is 426.14 g/mol.
Where can I buy 1,3-Dimethyl-5-(2-oxo-3-phenyl-4-piperidin-1-yl-2,3-dihydro-thiazol-5-ylmethylene)-pyrimidine-2,4,6-trio ne?
You can request a quote for 1,3-Dimethyl-5-(2-oxo-3-phenyl-4-piperidin-1-yl-2,3-dihydro-thiazol-5-ylmethylene)-pyrimidine-2,4,6-trio ne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-5-(2-oxo-3-phenyl-4-piperidin-1-yl-2,3-dihydro-thiazol-5-ylmethylene)-pyrimidine-2,4,6-trio ne?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-5-(2-oxo-3-phenyl-4-piperidin-1-yl-2,3-dihydro-thiazol-5-ylmethylene)-pyrimidine-2,4,6-trio ne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.