4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide
TL;DR: 4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide (CAS 77455-08-4) is a chemical compound with molecular formula C9H13ClN6O and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylcyanamide
Also Known As: BAS 01313009, 4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide, AJ-292/13093096, [4-(2-chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylcyanamide, [4-(2-Chloro-ethoxy)-6-dimethylamino-[1,3,5]triazin-2-yl]-methyl-cyanamide
| Molecular Formula | C9H13ClN6O |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.08392 |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 77455-08-4 |
|---|---|
| SMILES | CN(C)C1=NC(=NC(=N1)OCCCl)N(C)C#N |
| InChIKey | ZJDBSXMIUHXREV-UHFFFAOYSA-N |
Product Overview
4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide (CAS 77455-08-4), with molecular formula C9H13ClN6O and molecular weight 256.08 g/mol. IUPAC: [4-(2-chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylcyanamide.
Chemical Property Profile of 4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide
Property Insights of 4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide. Following Lipinski's Rule of Five, 4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide has 0 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 4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide?
The CAS number of 4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide is 77455-08-4.
What is the molecular formula of 4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide?
The molecular formula of 4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide is C9H13ClN6O.
What is the molecular weight of 4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide?
The molecular weight of 4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide is 256.08 g/mol.
Where can I buy 4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide?
You can request a quote for 4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.