Desmetryn
TL;DR: Desmetryn (CAS 1014-69-3) is a chemical compound with molecular formula C8H15N5S and molecular weight 213.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C8H15N5S |
|---|---|
| Molecular Weight | 213.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.10481 |
| Heavy Atoms | 14 |
| Complexity | 166.0 |
| Melting Point | 85 °C |
| Boiling Point | 339 °C at 98.4 kPa |
| Density | 1.172 at 20 °C |
| Solubility | Solubilities in organic solvents at 20 °C. [Table#3504] |
| Vapor Pressure | 0.000001 [mmHg] |
Chemical Identifiers
| CAS Number | 1014-69-3 |
|---|---|
| SMILES | CC(C)NC1=NC(=NC(=N1)NC)SC |
| InChIKey | HCRWJJJUKUVORR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Desmetryn (CAS 1014-69-3), with molecular formula C8H15N5S and molecular weight 213.10 g/mol. IUPAC: 4-N-methyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
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
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 213.10 g/mol.
Where can I buy Desmetryn?
You can request a quote for Desmetryn directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desmetryn?
Yes, KEHONG BIO provides custom synthesis services for Desmetryn and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.