![5-((((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)(phenylamino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione structure](/static/products/880/880794-83-2.png)
5-((((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)(phenylamino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-((((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)(phenylamino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 880794-83-2) is a chemical compound with molecular formula C21H18ClN3O5S and molecular weight 459.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-1,3-benzodioxol-5-yl)methyl 4-hydroxy-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboximidothioate
Also Known As: 5-((((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)(phenylamino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}(phenylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[anilino-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 5-{[(6-chloro(2H-benzo[d]1,3-dioxolan-5-yl))methylthio](phenylamino)methylene} -1,3-dimethyl-1,3-dihydropyrimidine-2,4,6-trione
| Molecular Formula | C21H18ClN3O5S |
|---|---|
| Molecular Weight | 459.07 g/mol |
| LogP | 3.1834 |
| Topological Polar Surface Area | 95.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.06558 |
| Heavy Atoms | 31 |
| Complexity | 1301.093 |
Chemical Identifiers
| CAS Number | 880794-83-2 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C(=NC2=CC=CC=C2)SCC3=CC4=C(C=C3Cl)OCO4)O |
Product Overview
5-((((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)(phenylamino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 880794-83-2), with molecular formula C21H18ClN3O5S and molecular weight 459.07 g/mol. IUPAC: (6-chloro-1,3-benzodioxol-5-yl)methyl 4-hydroxy-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboximidothioate.
Chemical Property Profile of 5-((((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)(phenylamino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-((((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)(phenylamino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.1834 indicates that 5-((((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)(phenylamino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)(phenylamino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 5-((((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)(phenylamino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione has 1 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 5-((((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)(phenylamino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-((((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)(phenylamino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 880794-83-2.
What is the molecular formula of 5-((((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)(phenylamino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-((((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)(phenylamino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is C21H18ClN3O5S.
What is the molecular weight of 5-((((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)(phenylamino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-((((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)(phenylamino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 459.07 g/mol.
Where can I buy 5-((((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)(phenylamino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-((((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)(phenylamino)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-((((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)(phenylamino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-((((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)(phenylamino)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.