![3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-N5,N7-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine structure](/static/products/849/849124-92-1.png)
3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-N5,N7-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine
TL;DR: 3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-N5,N7-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine (CAS 849124-92-1) is a chemical compound with molecular formula C16H20ClN7OS and molecular weight 393.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-chlorophenoxy)ethylsulfanyl]-5-N,7-N-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine
Also Known As: 3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-N5,N7-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine, 3-((2-(4-Chlorophenoxy)ethyl)thio)-N5,N7-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine, 3-[2-(4-chlorophenoxy)ethylsulfanyl]-5-N,7-N-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine
| Molecular Formula | C16H20ClN7OS |
|---|---|
| Molecular Weight | 393.11 g/mol |
| LogP | 3.2074 |
| Topological Polar Surface Area | 89.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 393.11386 |
| Heavy Atoms | 26 |
| Complexity | 855.6756 |
Chemical Identifiers
| CAS Number | 849124-92-1 |
|---|---|
| SMILES | CCNC1=NC2=NN=C(N2C(=N1)NCC)SCCOC3=CC=C(C=C3)Cl |
Product Overview
3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-N5,N7-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine (CAS 849124-92-1), with molecular formula C16H20ClN7OS and molecular weight 393.11 g/mol. IUPAC: 3-[2-(4-chlorophenoxy)ethylsulfanyl]-5-N,7-N-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine.
Chemical Property Profile of 3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-N5,N7-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine
Property Insights of 3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-N5,N7-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine
The XLogP value of 3.2074 indicates that 3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-N5,N7-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-N5,N7-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine. Following Lipinski's Rule of Five, 3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-N5,N7-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine has 2 hydrogen bond donor(s) and 8 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 3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-N5,N7-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine?
The CAS number of 3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-N5,N7-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine is 849124-92-1.
What is the molecular formula of 3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-N5,N7-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine?
The molecular formula of 3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-N5,N7-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine is C16H20ClN7OS.
What is the molecular weight of 3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-N5,N7-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine?
The molecular weight of 3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-N5,N7-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine is 393.11 g/mol.
Where can I buy 3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-N5,N7-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine?
You can request a quote for 3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-N5,N7-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-N5,N7-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine?
Yes, KEHONG BIO provides custom synthesis services for 3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-N5,N7-diethyl-[1,2,4]triazolo[4,3-a][1,3,5]triazine-5,7-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.