![{4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate structure](/static/products/5779/577981-31-8.webp)
{4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate
TL;DR: {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate (CAS 577981-31-8) is a chemical compound with molecular formula C21H22FN7S2 and molecular weight 455.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-phenylpiperazine-1-carbodithioate
Also Known As: {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate, [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-phenylpiperazine-1-carbodithioate, ({4-amino-6-[(4-fluorophenyl)amino](1,3,5-triazin-2-yl)}methylthio)(4-phenylpi perazinyl)methane-1-thione, (4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methyl 4-phenylpiperazine-1-carbodithioate, 4-Phenyl-piperazine-1-carbodithioic acid 4-amino-6-(4-fluoro-phenylamino)-[1,3,5]triazin-2-ylmethyl ester
| Molecular Formula | C21H22FN7S2 |
|---|---|
| Molecular Weight | 455.14 g/mol |
| LogP | 3.6768 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.1362 |
| Heavy Atoms | 31 |
| Complexity | 1025.6581 |
Chemical Identifiers
| CAS Number | 577981-31-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=S)SCC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N |
Product Overview
{4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate (CAS 577981-31-8), with molecular formula C21H22FN7S2 and molecular weight 455.14 g/mol. IUPAC: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-phenylpiperazine-1-carbodithioate.
Chemical Property Profile of {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate
Property Insights of {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate
The XLogP value of 3.6768 indicates that {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate. Following Lipinski's Rule of Five, {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate 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 {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate?
The CAS number of {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate is 577981-31-8.
What is the molecular formula of {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate?
The molecular formula of {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate is C21H22FN7S2.
What is the molecular weight of {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate?
The molecular weight of {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate is 455.14 g/mol.
Where can I buy {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate?
You can request a quote for {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.