as-Triazine, 5-(1-adamantyl)-3-(methylthio)-
TL;DR: as-Triazine, 5-(1-adamantyl)-3-(methylthio)- (CAS 69466-73-5) is a chemical compound with molecular formula C14H19N3S and molecular weight 261.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-adamantyl)-3-methylsulfanyl-1,2,4-triazine
Also Known As: as-Triazine, 5-(1-adamantyl)-3-(methylthio)-, 5-(1-Adamantyl)-3-(methylthio)-as-triazine, 5-26-03-00298 (Beilstein Handbook Reference), 5-(1-Adamantyl)-3-methylthio-1,2,4-triazine, 5-(1-adamantyl)-3-methylsulfanyl-1,2,4-triazine
| Molecular Formula | C14H19N3S |
|---|---|
| Molecular Weight | 261.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.12997 |
| Heavy Atoms | 18 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 69466-73-5 |
|---|---|
| SMILES | CSC1=NC(=CN=N1)C23CC4CC(C2)CC(C4)C3 |
| InChIKey | PLGAXNZNSQOSLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
as-Triazine, 5-(1-adamantyl)-3-(methylthio)- (CAS 69466-73-5), with molecular formula C14H19N3S and molecular weight 261.13 g/mol. IUPAC: 5-(1-adamantyl)-3-methylsulfanyl-1,2,4-triazine.
Chemical Property Profile of as-Triazine, 5-(1-adamantyl)-3-(methylthio)-
Property Insights of as-Triazine, 5-(1-adamantyl)-3-(methylthio)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for as-Triazine, 5-(1-adamantyl)-3-(methylthio)-. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for as-Triazine, 5-(1-adamantyl)-3-(methylthio)-. Following Lipinski's Rule of Five, as-Triazine, 5-(1-adamantyl)-3-(methylthio)- has 0 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 as-Triazine, 5-(1-adamantyl)-3-(methylthio)-?
The CAS number of as-Triazine, 5-(1-adamantyl)-3-(methylthio)- is 69466-73-5.
What is the molecular formula of as-Triazine, 5-(1-adamantyl)-3-(methylthio)-?
The molecular formula of as-Triazine, 5-(1-adamantyl)-3-(methylthio)- is C14H19N3S.
What is the molecular weight of as-Triazine, 5-(1-adamantyl)-3-(methylthio)-?
The molecular weight of as-Triazine, 5-(1-adamantyl)-3-(methylthio)- is 261.13 g/mol.
Where can I buy as-Triazine, 5-(1-adamantyl)-3-(methylthio)-?
You can request a quote for as-Triazine, 5-(1-adamantyl)-3-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for as-Triazine, 5-(1-adamantyl)-3-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for as-Triazine, 5-(1-adamantyl)-3-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.