5-{[(2,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
TL;DR: 5-{[(2,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE (CAS 349486-64-2) is a chemical compound with molecular formula C13H13N3O2S and molecular weight 275.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,5-dimethylphenyl)iminomethyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-{[(2,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE, F3220-0539, 5-(((2,5-dimethylphenyl)amino)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(2,5-dimethylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-[(2,5-dimethylphenyl)iminomethyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
| Molecular Formula | C13H13N3O2S |
|---|---|
| Molecular Weight | 275.07 g/mol |
| LogP | 2.50553 |
| Topological Polar Surface Area | 81.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.07285 |
| Heavy Atoms | 19 |
| Complexity | 759.2141 |
Chemical Identifiers
| CAS Number | 349486-64-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N=CC2=C(NC(=S)NC2=O)O |
Product Overview
5-{[(2,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE (CAS 349486-64-2), with molecular formula C13H13N3O2S and molecular weight 275.07 g/mol. IUPAC: 5-[(2,5-dimethylphenyl)iminomethyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-{[(2,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
Property Insights of 5-{[(2,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
The XLogP value of 2.50553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[(2,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE. The TPSA of 81.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[(2,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE. Following Lipinski's Rule of Five, 5-{[(2,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE has 3 hydrogen bond donor(s) and 4 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-{[(2,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE?
The CAS number of 5-{[(2,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE is 349486-64-2.
What is the molecular formula of 5-{[(2,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE?
The molecular formula of 5-{[(2,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE is C13H13N3O2S.
What is the molecular weight of 5-{[(2,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE?
The molecular weight of 5-{[(2,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE is 275.07 g/mol.
Where can I buy 5-{[(2,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE?
You can request a quote for 5-{[(2,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[(2,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(2,5-DIMETHYLPHENYL)AMINO]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.