8-(trifluoromethyl)-7H-purine-2,6-diamine
TL;DR: 8-(trifluoromethyl)-7H-purine-2,6-diamine (CAS 778-98-3) is a chemical compound with molecular formula C6H5F3N6 and molecular weight 218.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(trifluoromethyl)-7H-purine-2,6-diamine
Also Known As: 8-(trifluoromethyl)-7H-purine-2,6-diamine, 2,6-diamino-8-trifluoromethylpurine, purine, 2,6-diamino-8-trifluoromethyl-, 8-(Trifluoromethyl)-2,6-diamino-9H-purine, 8-(trifluoromethyl)-5H-purine-2,6-diamine
| Molecular Formula | C6H5F3N6 |
|---|---|
| Molecular Weight | 218.05 g/mol |
| LogP | 0.5361 |
| Topological Polar Surface Area | 106.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.05278 |
| Heavy Atoms | 15 |
| Complexity | 515.297 |
Chemical Identifiers
| CAS Number | 778-98-3 |
|---|---|
| SMILES | C12=C(N=C(N=C1N=C(N2)C(F)(F)F)N)N |
Product Overview
8-(trifluoromethyl)-7H-purine-2,6-diamine (CAS 778-98-3), with molecular formula C6H5F3N6 and molecular weight 218.05 g/mol. IUPAC: 8-(trifluoromethyl)-7H-purine-2,6-diamine.
Chemical Property Profile of 8-(trifluoromethyl)-7H-purine-2,6-diamine
Property Insights of 8-(trifluoromethyl)-7H-purine-2,6-diamine
The XLogP value of 0.5361 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(trifluoromethyl)-7H-purine-2,6-diamine. The TPSA of 106.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(trifluoromethyl)-7H-purine-2,6-diamine. Following Lipinski's Rule of Five, 8-(trifluoromethyl)-7H-purine-2,6-diamine has 3 hydrogen bond donor(s) and 5 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-2,6-diamine?
The CAS number of 8-(trifluoromethyl)-7H-purine-2,6-diamine is 778-98-3.
What is the molecular formula of 8-(trifluoromethyl)-7H-purine-2,6-diamine?
The molecular formula of 8-(trifluoromethyl)-7H-purine-2,6-diamine is C6H5F3N6.
What is the molecular weight of 8-(trifluoromethyl)-7H-purine-2,6-diamine?
The molecular weight of 8-(trifluoromethyl)-7H-purine-2,6-diamine is 218.05 g/mol.
Where can I buy 8-(trifluoromethyl)-7H-purine-2,6-diamine?
You can request a quote for 8-(trifluoromethyl)-7H-purine-2,6-diamine 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-2,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for 8-(trifluoromethyl)-7H-purine-2,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.