2-Chloro-9-ethyl-6-(trifluoromethyl)-9h-purine
TL;DR: 2-Chloro-9-ethyl-6-(trifluoromethyl)-9h-purine (CAS 20072-98-4) is a chemical compound with molecular formula C8H6ClF3N4 and molecular weight 250.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-9-ethyl-6-(trifluoromethyl)purine
Also Known As: 2-chloro-9-ethyl-6-(trifluoromethyl)-9h-purine, NCIOpen2_002976, 2-chloro-9-ethyl-6-(trifluoromethyl)purine, 9H-Purine,2-chloro-9-ethyl-6-(trifluoromethyl)-
| Molecular Formula | C8H6ClF3N4 |
|---|---|
| Molecular Weight | 250.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.02332 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 20072-98-4 |
|---|---|
| SMILES | CCN1C=NC2=C(N=C(N=C21)Cl)C(F)(F)F |
| InChIKey | XHZUJWFDEBCOKE-UHFFFAOYSA-N |
Product Overview
2-Chloro-9-ethyl-6-(trifluoromethyl)-9h-purine (CAS 20072-98-4), with molecular formula C8H6ClF3N4 and molecular weight 250.02 g/mol. IUPAC: 2-chloro-9-ethyl-6-(trifluoromethyl)purine.
Chemical Property Profile of 2-Chloro-9-ethyl-6-(trifluoromethyl)-9h-purine
Property Insights of 2-Chloro-9-ethyl-6-(trifluoromethyl)-9h-purine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-9-ethyl-6-(trifluoromethyl)-9h-purine. With a topological polar surface area (TPSA) of 43.6 Ų, 2-Chloro-9-ethyl-6-(trifluoromethyl)-9h-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-9-ethyl-6-(trifluoromethyl)-9h-purine has 0 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 2-Chloro-9-ethyl-6-(trifluoromethyl)-9h-purine?
The CAS number of 2-Chloro-9-ethyl-6-(trifluoromethyl)-9h-purine is 20072-98-4.
What is the molecular formula of 2-Chloro-9-ethyl-6-(trifluoromethyl)-9h-purine?
The molecular formula of 2-Chloro-9-ethyl-6-(trifluoromethyl)-9h-purine is C8H6ClF3N4.
What is the molecular weight of 2-Chloro-9-ethyl-6-(trifluoromethyl)-9h-purine?
The molecular weight of 2-Chloro-9-ethyl-6-(trifluoromethyl)-9h-purine is 250.02 g/mol.
Where can I buy 2-Chloro-9-ethyl-6-(trifluoromethyl)-9h-purine?
You can request a quote for 2-Chloro-9-ethyl-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-9-ethyl-6-(trifluoromethyl)-9h-purine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-9-ethyl-6-(trifluoromethyl)-9h-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.