4D-019
TL;DR: 4D-019 (CAS 338417-70-2) is a chemical compound with molecular formula C20H14Cl4N4OS and molecular weight 497.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[1-(2,4-dichlorophenoxy)ethyl]-2-[(2,6-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: 4D-019, 2-[(2,6-dichlorobenzyl)sulfanyl]-7-[1-(2,4-dichlorophenoxy)ethyl][1,2,4]triazolo[1,5-a]pyrimidine, 7-[1-(2,4-dichlorophenoxy)ethyl]-2-[(2,6-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine, 7-[1-(2,4-dichlorophenoxy)ethyl]-2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C20H14Cl4N4OS |
|---|---|
| Molecular Weight | 497.96 g/mol |
| LogP | 7.1702 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.96423 |
| Heavy Atoms | 30 |
| Complexity | 1196.6086 |
Chemical Identifiers
| CAS Number | 338417-70-2 |
|---|---|
| SMILES | CC(C1=CC=NC2=NC(=NN12)SCC3=C(C=CC=C3Cl)Cl)OC4=C(C=C(C=C4)Cl)Cl |
Product Overview
4D-019 (CAS 338417-70-2), with molecular formula C20H14Cl4N4OS and molecular weight 497.96 g/mol. IUPAC: 7-[1-(2,4-dichlorophenoxy)ethyl]-2-[(2,6-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
Chemical Property Profile of 4D-019
Property Insights of 4D-019
The XLogP value of 7.1702 indicates that 4D-019 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.31 Ų, 4D-019 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4D-019 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4D-019?
The CAS number of 4D-019 is 338417-70-2.
What is the molecular formula of 4D-019?
The molecular formula of 4D-019 is C20H14Cl4N4OS.
What is the molecular weight of 4D-019?
The molecular weight of 4D-019 is 497.96 g/mol.
Where can I buy 4D-019?
You can request a quote for 4D-019 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4D-019?
Yes, KEHONG BIO provides custom synthesis services for 4D-019 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.