2-Chloro-6-(trifluoromethyl)-9H-purine
TL;DR: 2-Chloro-6-(trifluoromethyl)-9H-purine (CAS 1998-64-7) is a chemical compound with molecular formula C6H2ClF3N4 and molecular weight 221.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-(trifluoromethyl)-7H-purine
Also Known As: 2-Chloro-6-(trifluoromethyl)-9H-purine, 2-chloro-6-(trifluoromethyl)-7H-purine, 9H-Purine, 2-chloro-6-(trifluoromethyl)-, IFLAB-BB F2124-0878, 2-chloro-6(trifluoromethyl)-9H-purine
| Molecular Formula | C6H2ClF3N4 |
|---|---|
| Molecular Weight | 221.99 g/mol |
| LogP | 2.0251 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.992 |
| Heavy Atoms | 14 |
| Complexity | 477.3716 |
Chemical Identifiers
| CAS Number | 1998-64-7 |
|---|---|
| SMILES | C1=NC2=NC(=NC(=C2N1)C(F)(F)F)Cl |
Product Overview
2-Chloro-6-(trifluoromethyl)-9H-purine (CAS 1998-64-7), with molecular formula C6H2ClF3N4 and molecular weight 221.99 g/mol. IUPAC: 2-chloro-6-(trifluoromethyl)-7H-purine.
Chemical Property Profile of 2-Chloro-6-(trifluoromethyl)-9H-purine
Property Insights of 2-Chloro-6-(trifluoromethyl)-9H-purine
The XLogP value of 2.0251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-(trifluoromethyl)-9H-purine. With a topological polar surface area (TPSA) of 54.46 Ų, 2-Chloro-6-(trifluoromethyl)-9H-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-(trifluoromethyl)-9H-purine has 1 hydrogen bond donor(s) and 3 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 2-Chloro-6-(trifluoromethyl)-9H-purine?
The CAS number of 2-Chloro-6-(trifluoromethyl)-9H-purine is 1998-64-7.
What is the molecular formula of 2-Chloro-6-(trifluoromethyl)-9H-purine?
The molecular formula of 2-Chloro-6-(trifluoromethyl)-9H-purine is C6H2ClF3N4.
What is the molecular weight of 2-Chloro-6-(trifluoromethyl)-9H-purine?
The molecular weight of 2-Chloro-6-(trifluoromethyl)-9H-purine is 221.99 g/mol.
Where can I buy 2-Chloro-6-(trifluoromethyl)-9H-purine?
You can request a quote for 2-Chloro-6-(trifluoromethyl)-9H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-(trifluoromethyl)-9H-purine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-(trifluoromethyl)-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.