8-(trifluoromethyl)-7H-purine
TL;DR: 8-(trifluoromethyl)-7H-purine (CAS 2268-12-4) 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.
8-(trifluoromethyl)-7H-purine
Also Known As: 8-(trifluoromethyl)-7H-purine, 8-trifluoromethylpurine, 8- -7H-purine, purine, 8-trifluoromethyl-, 8-(Trifluoromethyl)-1H-purine
| 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 | 2268-12-4 |
|---|---|
| SMILES | C1=C2C(=NC=N1)N=C(N2)C(F)(F)F |
| InChIKey | YGINUNRCDDYFKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-(trifluoromethyl)-7H-purine (CAS 2268-12-4), with molecular formula C6H3F3N4 and molecular weight 188.03 g/mol. IUPAC: 8-(trifluoromethyl)-7H-purine.
Chemical Property Profile of 8-(trifluoromethyl)-7H-purine
Property Insights of 8-(trifluoromethyl)-7H-purine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(trifluoromethyl)-7H-purine. With a topological polar surface area (TPSA) of 54.5 Ų, 8-(trifluoromethyl)-7H-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(trifluoromethyl)-7H-purine 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 8-(trifluoromethyl)-7H-purine?
The CAS number of 8-(trifluoromethyl)-7H-purine is 2268-12-4.
What is the molecular formula of 8-(trifluoromethyl)-7H-purine?
The molecular formula of 8-(trifluoromethyl)-7H-purine is C6H3F3N4.
What is the molecular weight of 8-(trifluoromethyl)-7H-purine?
The molecular weight of 8-(trifluoromethyl)-7H-purine is 188.03 g/mol.
Where can I buy 8-(trifluoromethyl)-7H-purine?
You can request a quote for 8-(trifluoromethyl)-7H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(trifluoromethyl)-7H-purine?
Yes, KEHONG BIO provides custom synthesis services for 8-(trifluoromethyl)-7H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.