![1-benzyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine structure](/static/products/586/586985-63-9.png)
1-benzyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine
TL;DR: 1-benzyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine (CAS 586985-63-9) is a chemical compound with molecular formula C20H15F3N4S and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[5,4-d]pyrimidine
Also Known As: 1-benzyl-4-((3-(trifluoromethyl)benzyl)thio)-1H-pyrazolo[3,4-d]pyrimidine, 1-benzyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[3,4-d]pyrimidine, 1-benzyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C20H15F3N4S |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 5.1857 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.09695 |
| Heavy Atoms | 28 |
| Complexity | 1093.5103 |
Chemical Identifiers
| CAS Number | 586985-63-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC4=CC(=CC=C4)C(F)(F)F |
Product Overview
1-benzyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine (CAS 586985-63-9), with molecular formula C20H15F3N4S and molecular weight 400.10 g/mol. IUPAC: 1-benzyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 1-benzyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine
Property Insights of 1-benzyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine
The XLogP value of 5.1857 indicates that 1-benzyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 1-benzyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-benzyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine?
The CAS number of 1-benzyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine is 586985-63-9.
What is the molecular formula of 1-benzyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine?
The molecular formula of 1-benzyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine is C20H15F3N4S.
What is the molecular weight of 1-benzyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine?
The molecular weight of 1-benzyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine is 400.10 g/mol.
Where can I buy 1-benzyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine?
You can request a quote for 1-benzyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.