Desmetryn
TL;DR: Desmetryn (CAS 1014-69-3) is a chemical compound with molecular formula C8H15N5S and molecular weight 213.10481 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-N-methyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Also Known As: Desmetryn, Semeron, Norametryne, Topusyn, Samuron
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H15N5S |
| Molecular Weight | 213.10481 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.10481 Da |
| Heavy Atoms | 14 |
| Complexity | 166.0 |
| Melting Point | 85 °C |
| Boiling Point | 339 °C at 98.4 kPa |
| Density | 1.172 at 20 °C |
| Vapor Pressure | 0.000001 [mmHg] |
| Solubility | Solubilities in organic solvents at 20 °C. [Table#3504] |
| SMILES | CC(C)NC1=NC(=NC(=N1)NC)SC |
| InChIKey | HCRWJJJUKUVORR-UHFFFAOYSA-N |
Chemical Property Profile of Desmetryn
Property Insights of Desmetryn
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desmetryn. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Desmetryn. Following Lipinski's Rule of Five, Desmetryn has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Desmetryn?
The CAS number of Desmetryn is 1014-69-3.
What is the molecular formula of Desmetryn?
The molecular formula of Desmetryn is C8H15N5S.
What is the molecular weight of Desmetryn?
The molecular weight of Desmetryn is 213.10481 g/mol.
Where can I buy Desmetryn?
You can request a quote for Desmetryn directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Desmetryn?
Yes, CoreyChem provides custom synthesis services for Desmetryn and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.