(4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methyl 4-benzhydrylpiperazine-1-carbodithioate
TL;DR: (4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methyl 4-benzhydrylpiperazine-1-carbodithioate (CAS 689751-52-8) is a chemical compound with molecular formula C28H28FN7S2 and molecular weight 545.18 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-benzhydrylpiperazine-1-carbodithioate
Also Known As: (4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methyl 4-benzhydrylpiperazine-1-carbodithioate, [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-benzhydrylpiperazine-1-carbodithioate, {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-(diphenylmethyl)piperazine-1-carbodithioate
| Molecular Formula | C28H28FN7S2 |
|---|---|
| Molecular Weight | 545.18 g/mol |
| LogP | 5.2618 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 545.18317 |
| Heavy Atoms | 38 |
| Complexity | 1309.5082 |
Chemical Identifiers
| CAS Number | 689751-52-8 |
|---|---|
| SMILES | C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)SCC4=NC(=NC(=N4)NC5=CC=C(C=C5)F)N |
Product Overview
(4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methyl 4-benzhydrylpiperazine-1-carbodithioate (CAS 689751-52-8), with molecular formula C28H28FN7S2 and molecular weight 545.18 g/mol. IUPAC: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-benzhydrylpiperazine-1-carbodithioate.
Chemical Property Profile of (4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methyl 4-benzhydrylpiperazine-1-carbodithioate
Property Insights of (4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methyl 4-benzhydrylpiperazine-1-carbodithioate
The XLogP value of 5.2618 indicates that (4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methyl 4-benzhydrylpiperazine-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-benzhydrylpiperazine-1-carbodithioate. Following Lipinski's Rule of Five, (4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methyl 4-benzhydrylpiperazine-1-carbodithioate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
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-benzhydrylpiperazine-1-carbodithioate?
The CAS number of (4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methyl 4-benzhydrylpiperazine-1-carbodithioate is 689751-52-8.
What is the molecular formula of (4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methyl 4-benzhydrylpiperazine-1-carbodithioate?
The molecular formula of (4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methyl 4-benzhydrylpiperazine-1-carbodithioate is C28H28FN7S2.
What is the molecular weight of (4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methyl 4-benzhydrylpiperazine-1-carbodithioate?
The molecular weight of (4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methyl 4-benzhydrylpiperazine-1-carbodithioate is 545.18 g/mol.
Where can I buy (4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methyl 4-benzhydrylpiperazine-1-carbodithioate?
You can request a quote for (4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methyl 4-benzhydrylpiperazine-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-benzhydrylpiperazine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for (4-amino-6-((4-fluorophenyl)amino)-1,3,5-triazin-2-yl)methyl 4-benzhydrylpiperazine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.