![5-[{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione structure](/static/products/878/878976-73-9.png)
5-[{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-[{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 878976-73-9) is a chemical compound with molecular formula C16H16ClN3O5S and molecular weight 397.05 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-N,1,3-trimethyl-2,6-dioxopyrimidine-5-carboximidothioate
Also Known As: 5-[{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-((((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)(methylamino)methylene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl-(methylamino)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 5-{[(6-chloro(2H-benzo[d]1,3-dioxolan-5-yl))methylthio](methylamino)methylene} -1,3-dimethyl-1,3-dihydropyrimidine-2,4,6-trione
| Molecular Formula | C16H16ClN3O5S |
|---|---|
| Molecular Weight | 397.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.04993 |
| Heavy Atoms | 26 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 878976-73-9 |
|---|---|
| SMILES | CN=C(C1=C(N(C(=O)N(C1=O)C)C)O)SCC2=CC3=C(C=C2Cl)OCO3 |
| InChIKey | HMPHZRYPYXQOSD-UHFFFAOYSA-N |
Product Overview
5-[{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 878976-73-9), with molecular formula C16H16ClN3O5S and molecular weight 397.05 g/mol. IUPAC: (6-chloro-1,3-benzodioxol-5-yl)methyl 4-hydroxy-N,1,3-trimethyl-2,6-dioxopyrimidine-5-carboximidothioate.
Chemical Property Profile of 5-[{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-[{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 5-[{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}(methylamino)methylidene]-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-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-[{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 878976-73-9.
What is the molecular formula of 5-[{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-[{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is C16H16ClN3O5S.
What is the molecular weight of 5-[{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-[{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 397.05 g/mol.
Where can I buy 5-[{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-[{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}(methylamino)methylidene]-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-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-[{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}(methylamino)methylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.