![(5E)-5-[(2-METHYL-1H-INDOL-3-YL)METHYLIDENE]-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE structure](/static/products/571/5713-51-9.png)
(5E)-5-[(2-METHYL-1H-INDOL-3-YL)METHYLIDENE]-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
TL;DR: (5E)-5-[(2-METHYL-1H-INDOL-3-YL)METHYLIDENE]-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE (CAS 5713-51-9) is a chemical compound with molecular formula C17H15N3O2S and molecular weight 325.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-5-[(2-METHYL-1H-INDOL-3-YL)METHYLIDENE]-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
| Molecular Formula | C17H15N3O2S |
|---|---|
| Molecular Weight | 325.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 97.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.0885 |
| Heavy Atoms | 23 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 5713-51-9 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C1=CC3=C(N(C(=S)NC3=O)CC=C)O |
| InChIKey | OWFMZKMJGVNTMI-UHFFFAOYSA-N |
Product Overview
(5E)-5-[(2-METHYL-1H-INDOL-3-YL)METHYLIDENE]-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE (CAS 5713-51-9), with molecular formula C17H15N3O2S and molecular weight 325.09 g/mol. IUPAC: 6-hydroxy-5-[(2-methylindol-3-ylidene)methyl]-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of (5E)-5-[(2-METHYL-1H-INDOL-3-YL)METHYLIDENE]-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
Property Insights of (5E)-5-[(2-METHYL-1H-INDOL-3-YL)METHYLIDENE]-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-[(2-METHYL-1H-INDOL-3-YL)METHYLIDENE]-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[(2-METHYL-1H-INDOL-3-YL)METHYLIDENE]-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE. Following Lipinski's Rule of Five, (5E)-5-[(2-METHYL-1H-INDOL-3-YL)METHYLIDENE]-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE has 2 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 (5E)-5-[(2-METHYL-1H-INDOL-3-YL)METHYLIDENE]-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE?
The CAS number of (5E)-5-[(2-METHYL-1H-INDOL-3-YL)METHYLIDENE]-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE is 5713-51-9.
What is the molecular formula of (5E)-5-[(2-METHYL-1H-INDOL-3-YL)METHYLIDENE]-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE?
The molecular formula of (5E)-5-[(2-METHYL-1H-INDOL-3-YL)METHYLIDENE]-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE is C17H15N3O2S.
What is the molecular weight of (5E)-5-[(2-METHYL-1H-INDOL-3-YL)METHYLIDENE]-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE?
The molecular weight of (5E)-5-[(2-METHYL-1H-INDOL-3-YL)METHYLIDENE]-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE is 325.09 g/mol.
Where can I buy (5E)-5-[(2-METHYL-1H-INDOL-3-YL)METHYLIDENE]-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE?
You can request a quote for (5E)-5-[(2-METHYL-1H-INDOL-3-YL)METHYLIDENE]-1-(PROP-2-EN-1-YL)-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 (5E)-5-[(2-METHYL-1H-INDOL-3-YL)METHYLIDENE]-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[(2-METHYL-1H-INDOL-3-YL)METHYLIDENE]-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.