![5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/676/676485-25-9.png)
5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 676485-25-9) is a chemical compound with molecular formula C17H18N4O2S and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[2-(1H-indol-3-yl)ethyliminomethyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
Also Known As: 5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[2-(1H-indol-3-yl)ethylamino]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-(((2-(1H-indol-3-yl)ethyl)amino)methylene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-{[(2-indol-3-ylethyl)amino]methylene}-1,3-dimethyl-2-thioxo-1,3-dihydropyrim idine-4,6-dione
| Molecular Formula | C17H18N4O2S |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 2.30179 |
| Topological Polar Surface Area | 75.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.11505 |
| Heavy Atoms | 24 |
| Complexity | 1042.9056 |
Chemical Identifiers
| CAS Number | 676485-25-9 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=S)C)C=NCCC2=CNC3=CC=CC=C32)O |
Product Overview
5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 676485-25-9), with molecular formula C17H18N4O2S and molecular weight 342.12 g/mol. IUPAC: 6-hydroxy-5-[2-(1H-indol-3-yl)ethyliminomethyl]-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 2.30179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 75.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-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 5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 676485-25-9.
What is the molecular formula of 5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C17H18N4O2S.
What is the molecular weight of 5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 342.12 g/mol.
Where can I buy 5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-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-(1H-indol-3-yl)ethyl]amino}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-({[2-(1H-indol-3-yl)ethyl]amino}methylidene)-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.