![1-phenyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine structure](/static/products/575/575468-23-4.png)
1-phenyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine
TL;DR: 1-phenyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine (CAS 575468-23-4) is a chemical compound with molecular formula C19H13F3N4S and molecular weight 386.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[5,4-d]pyrimidine
Also Known As: 1-phenyl-4-((3-(trifluoromethyl)benzyl)thio)-1H-pyrazolo[3,4-d]pyrimidine, 1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[3,4-d]pyrimidine, 1-phenyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C19H13F3N4S |
|---|---|
| Molecular Weight | 386.08 g/mol |
| LogP | 5.1266 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.0813 |
| Heavy Atoms | 27 |
| Complexity | 1077.21 |
Chemical Identifiers
| CAS Number | 575468-23-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=CC(=CC=C4)C(F)(F)F |
Product Overview
1-phenyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine (CAS 575468-23-4), with molecular formula C19H13F3N4S and molecular weight 386.08 g/mol. IUPAC: 1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 1-phenyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine
Property Insights of 1-phenyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine
The XLogP value of 5.1266 indicates that 1-phenyl-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-phenyl-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-phenyl-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-phenyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine?
The CAS number of 1-phenyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine is 575468-23-4.
What is the molecular formula of 1-phenyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine?
The molecular formula of 1-phenyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine is C19H13F3N4S.
What is the molecular weight of 1-phenyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine?
The molecular weight of 1-phenyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine is 386.08 g/mol.
Where can I buy 1-phenyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine?
You can request a quote for 1-phenyl-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-phenyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-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.