![2-[Cyanomethyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetonitrile structure](/static/products/5379/53790-51-5.webp)
2-[Cyanomethyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetonitrile
TL;DR: 2-[Cyanomethyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetonitrile (CAS 53790-51-5) is a chemical compound with molecular formula C7H4Cl2N6 and molecular weight 241.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[cyanomethyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetonitrile
Also Known As: 2-[cyanomethyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetonitrile, 2,4-Dichloro-6-di(cyanomethyl)amino-s-triazine, 2,2'-((4,6-Dichloro-1,3,5-triazin-2-yl)azanediyl)diacetonitrile, 2,2'-[(4,6-Dichloro-1,3,5-triazin-2-yl)azanediyl]diacetonitrile
| Molecular Formula | C7H4Cl2N6 |
|---|---|
| Molecular Weight | 241.99 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.98744 |
| Heavy Atoms | 15 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 53790-51-5 |
|---|---|
| SMILES | C(C#N)N(CC#N)C1=NC(=NC(=N1)Cl)Cl |
| InChIKey | NZOVOSMVTZNOMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[Cyanomethyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetonitrile (CAS 53790-51-5), with molecular formula C7H4Cl2N6 and molecular weight 241.99 g/mol. IUPAC: 2-[cyanomethyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetonitrile.
Chemical Property Profile of 2-[Cyanomethyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetonitrile
Property Insights of 2-[Cyanomethyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[Cyanomethyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetonitrile. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[Cyanomethyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetonitrile. Following Lipinski's Rule of Five, 2-[Cyanomethyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetonitrile 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 2-[Cyanomethyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetonitrile?
The CAS number of 2-[Cyanomethyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetonitrile is 53790-51-5.
What is the molecular formula of 2-[Cyanomethyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetonitrile?
The molecular formula of 2-[Cyanomethyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetonitrile is C7H4Cl2N6.
What is the molecular weight of 2-[Cyanomethyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetonitrile?
The molecular weight of 2-[Cyanomethyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetonitrile is 241.99 g/mol.
Where can I buy 2-[Cyanomethyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetonitrile?
You can request a quote for 2-[Cyanomethyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Cyanomethyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[Cyanomethyl-(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.