Cyanatryn
TL;DR: Cyanatryn (CAS 21689-84-9) is a chemical compound with molecular formula C10H16N6S and molecular weight 252.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile
Also Known As: CYANATRYN, Aquafix, 2-(1-Cyano-1-methylethylamino)-4-ethylamino-6-methylthio-1,3,5-triazine, 2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile, 2-[(4-ethylamino-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]-2-methylpropanenitrile
| Molecular Formula | C10H16N6S |
|---|---|
| Molecular Weight | 252.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.11572 |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 21689-84-9 |
|---|---|
| SMILES | CCNC1=NC(=NC(=N1)SC)NC(C)(C)C#N |
| InChIKey | OFADGFSRMKSMPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyanatryn (CAS 21689-84-9), with molecular formula C10H16N6S and molecular weight 252.12 g/mol. IUPAC: 2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile.
Chemical Property Profile of Cyanatryn
Property Insights of Cyanatryn
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyanatryn. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanatryn. Following Lipinski's Rule of Five, Cyanatryn has 2 hydrogen bond donor(s) and 7 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 Cyanatryn?
The CAS number of Cyanatryn is 21689-84-9.
What is the molecular formula of Cyanatryn?
The molecular formula of Cyanatryn is C10H16N6S.
What is the molecular weight of Cyanatryn?
The molecular weight of Cyanatryn is 252.12 g/mol.
Where can I buy Cyanatryn?
You can request a quote for Cyanatryn directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanatryn?
Yes, KEHONG BIO provides custom synthesis services for Cyanatryn and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.