5-Methyl-3-((2-(4-morpholinyl)ethyl)thio)-5H-(1,2,4)triazino(5,6-b)indole
TL;DR: 5-Methyl-3-((2-(4-morpholinyl)ethyl)thio)-5H-(1,2,4)triazino(5,6-b)indole (CAS 3993-28-0) is a chemical compound with molecular formula C16H19N5OS and molecular weight 329.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine
Also Known As: ChemDiv2_005061, 5-Methyl-3-((2-(4-morpholinyl)ethyl)thio)-5H-(1,2,4)triazino(5,6-b)indole, 2,4-Dihydroxypyrrolo[2,3-d]Pyrimidine, CN1c2ccccc2c3nnc(SCCN4CCOCC4)nc13, IDI1_003776
| Molecular Formula | C16H19N5OS |
|---|---|
| Molecular Weight | 329.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.13104 |
| Heavy Atoms | 23 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 3993-28-0 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C3=C1N=C(N=N3)SCCN4CCOCC4 |
| InChIKey | KKNKBONMMKSMNC-UHFFFAOYSA-N |
Product Overview
5-Methyl-3-((2-(4-morpholinyl)ethyl)thio)-5H-(1,2,4)triazino(5,6-b)indole (CAS 3993-28-0), with molecular formula C16H19N5OS and molecular weight 329.13 g/mol. IUPAC: 4-[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethyl]morpholine.
Chemical Property Profile of 5-Methyl-3-((2-(4-morpholinyl)ethyl)thio)-5H-(1,2,4)triazino(5,6-b)indole
Property Insights of 5-Methyl-3-((2-(4-morpholinyl)ethyl)thio)-5H-(1,2,4)triazino(5,6-b)indole
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-3-((2-(4-morpholinyl)ethyl)thio)-5H-(1,2,4)triazino(5,6-b)indole. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-3-((2-(4-morpholinyl)ethyl)thio)-5H-(1,2,4)triazino(5,6-b)indole. Following Lipinski's Rule of Five, 5-Methyl-3-((2-(4-morpholinyl)ethyl)thio)-5H-(1,2,4)triazino(5,6-b)indole has 0 hydrogen bond donor(s) and 6 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-Methyl-3-((2-(4-morpholinyl)ethyl)thio)-5H-(1,2,4)triazino(5,6-b)indole?
The CAS number of 5-Methyl-3-((2-(4-morpholinyl)ethyl)thio)-5H-(1,2,4)triazino(5,6-b)indole is 3993-28-0.
What is the molecular formula of 5-Methyl-3-((2-(4-morpholinyl)ethyl)thio)-5H-(1,2,4)triazino(5,6-b)indole?
The molecular formula of 5-Methyl-3-((2-(4-morpholinyl)ethyl)thio)-5H-(1,2,4)triazino(5,6-b)indole is C16H19N5OS.
What is the molecular weight of 5-Methyl-3-((2-(4-morpholinyl)ethyl)thio)-5H-(1,2,4)triazino(5,6-b)indole?
The molecular weight of 5-Methyl-3-((2-(4-morpholinyl)ethyl)thio)-5H-(1,2,4)triazino(5,6-b)indole is 329.13 g/mol.
Where can I buy 5-Methyl-3-((2-(4-morpholinyl)ethyl)thio)-5H-(1,2,4)triazino(5,6-b)indole?
You can request a quote for 5-Methyl-3-((2-(4-morpholinyl)ethyl)thio)-5H-(1,2,4)triazino(5,6-b)indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-3-((2-(4-morpholinyl)ethyl)thio)-5H-(1,2,4)triazino(5,6-b)indole?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-((2-(4-morpholinyl)ethyl)thio)-5H-(1,2,4)triazino(5,6-b)indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.