Purine, 2-(trifluoromethyl)-
TL;DR: Purine, 2-(trifluoromethyl)- (CAS 95121-04-3) is a chemical compound with molecular formula C6H3F3N4 and molecular weight 188.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethyl)-7H-purine
Also Known As: 2-trifluoromethylpurine, Purine, 2-(trifluoromethyl)-, 2-Trifluoromethyl-9H-purine, 2-(trifluoromethyl)-7H-purine, 9H-Purine, 2-(trifluoromethyl)-
| Molecular Formula | C6H3F3N4 |
|---|---|
| Molecular Weight | 188.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.03098 |
| Heavy Atoms | 13 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 95121-04-3 |
|---|---|
| SMILES | C1=C2C(=NC(=N1)C(F)(F)F)N=CN2 |
| InChIKey | YDAGLPIQWWSUJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Purine, 2-(trifluoromethyl)- (CAS 95121-04-3), with molecular formula C6H3F3N4 and molecular weight 188.03 g/mol. IUPAC: 2-(trifluoromethyl)-7H-purine.
Chemical Property Profile of Purine, 2-(trifluoromethyl)-
Property Insights of Purine, 2-(trifluoromethyl)-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Purine, 2-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 54.5 Ų, Purine, 2-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Purine, 2-(trifluoromethyl)- has 1 hydrogen bond donor(s) and 6 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 Purine, 2-(trifluoromethyl)-?
The CAS number of Purine, 2-(trifluoromethyl)- is 95121-04-3.
What is the molecular formula of Purine, 2-(trifluoromethyl)-?
The molecular formula of Purine, 2-(trifluoromethyl)- is C6H3F3N4.
What is the molecular weight of Purine, 2-(trifluoromethyl)-?
The molecular weight of Purine, 2-(trifluoromethyl)- is 188.03 g/mol.
Where can I buy Purine, 2-(trifluoromethyl)-?
You can request a quote for Purine, 2-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Purine, 2-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Purine, 2-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.