4-(4-Benzhydrylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl methyl sulfide
TL;DR: 4-(4-Benzhydrylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl methyl sulfide (CAS 339019-57-7) is a chemical compound with molecular formula C23H23F3N4S and molecular weight 444.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-benzhydrylpiperazin-1-yl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
Also Known As: 7N-532S, 4-(4-benzhydrylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl methyl sulfide, 4-(4-benzhydrylpiperazin-1-yl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine, 4-[4-(diphenylmethyl)piperazin-1-yl]-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
| Molecular Formula | C23H23F3N4S |
|---|---|
| Molecular Weight | 444.16 g/mol |
| LogP | 5.1289 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.15955 |
| Heavy Atoms | 31 |
| Complexity | 951.2084 |
Chemical Identifiers
| CAS Number | 339019-57-7 |
|---|---|
| SMILES | CSC1=NC(=CC(=N1)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(F)(F)F |
Product Overview
4-(4-Benzhydrylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl methyl sulfide (CAS 339019-57-7), with molecular formula C23H23F3N4S and molecular weight 444.16 g/mol. IUPAC: 4-(4-benzhydrylpiperazin-1-yl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine.
Chemical Property Profile of 4-(4-Benzhydrylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl methyl sulfide
Property Insights of 4-(4-Benzhydrylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl methyl sulfide
The XLogP value of 5.1289 indicates that 4-(4-Benzhydrylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl methyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.26 Ų, 4-(4-Benzhydrylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl methyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Benzhydrylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl methyl sulfide 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 4-(4-Benzhydrylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl methyl sulfide?
The CAS number of 4-(4-Benzhydrylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl methyl sulfide is 339019-57-7.
What is the molecular formula of 4-(4-Benzhydrylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl methyl sulfide?
The molecular formula of 4-(4-Benzhydrylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl methyl sulfide is C23H23F3N4S.
What is the molecular weight of 4-(4-Benzhydrylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl methyl sulfide?
The molecular weight of 4-(4-Benzhydrylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl methyl sulfide is 444.16 g/mol.
Where can I buy 4-(4-Benzhydrylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl methyl sulfide?
You can request a quote for 4-(4-Benzhydrylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl methyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Benzhydrylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl methyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Benzhydrylpiperazino)-6-(trifluoromethyl)-2-pyrimidinyl methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.