![{4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate structure](/static/products/4894/489404-19-5.webp)
{4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate
TL;DR: {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate (CAS 489404-19-5) is a chemical compound with molecular formula C16H20FN7S2 and molecular weight 393.12 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-methylpiperazine-1-carbodithioate
Also Known As: {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate, [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-methylpiperazine-1-carbodithioate, ({4-amino-6-[(4-fluorophenyl)amino](1,3,5-triazin-2-yl)}methylthio)(4-methylpi perazinyl)methane-1-thione, (4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methyl 4-methylpiperazine-1-carbodithioate, {(4Z)-6-amino-4-[(4-fluorophenyl)imino]-4,5-dihydro-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate
| Molecular Formula | C16H20FN7S2 |
|---|---|
| Molecular Weight | 393.12 g/mol |
| LogP | 2.102 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.12057 |
| Heavy Atoms | 26 |
| Complexity | 763.6936 |
Chemical Identifiers
| CAS Number | 489404-19-5 |
|---|---|
| SMILES | CN1CCN(CC1)C(=S)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N |
Product Overview
{4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate (CAS 489404-19-5), with molecular formula C16H20FN7S2 and molecular weight 393.12 g/mol. IUPAC: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-methylpiperazine-1-carbodithioate.
Chemical Property Profile of {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate
Property Insights of {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate
The XLogP value of 2.102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate. 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-methylpiperazine-1-carbodithioate. Following Lipinski's Rule of Five, {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-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-methylpiperazine-1-carbodithioate?
The CAS number of {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate is 489404-19-5.
What is the molecular formula of {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate?
The molecular formula of {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate is C16H20FN7S2.
What is the molecular weight of {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate?
The molecular weight of {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate is 393.12 g/mol.
Where can I buy {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate?
You can request a quote for {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-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-methylpiperazine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-methylpiperazine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.