6-(trichloromethyl)-5H-purine
TL;DR: 6-(trichloromethyl)-5H-purine (CAS 2568-37-8) is a chemical compound with molecular formula C6H3Cl3N4 and molecular weight 235.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(trichloromethyl)-5H-purine
Also Known As: 6-(trichloromethyl)-5H-purine, 6-Trichloromethylpurin, 6-[Trichloromethyl]purine, 6-trichloromethyl-7(9)H-purine
| Molecular Formula | C6H3Cl3N4 |
|---|---|
| Molecular Weight | 235.94 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.94232 |
| Heavy Atoms | 13 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 2568-37-8 |
|---|---|
| SMILES | C1=NC2C(=NC=NC2=N1)C(Cl)(Cl)Cl |
| InChIKey | XBXVLKDTXYRLEE-UHFFFAOYSA-N |
Product Overview
6-(trichloromethyl)-5H-purine (CAS 2568-37-8), with molecular formula C6H3Cl3N4 and molecular weight 235.94 g/mol. IUPAC: 6-(trichloromethyl)-5H-purine.
Chemical Property Profile of 6-(trichloromethyl)-5H-purine
Property Insights of 6-(trichloromethyl)-5H-purine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(trichloromethyl)-5H-purine. With a topological polar surface area (TPSA) of 49.4 Ų, 6-(trichloromethyl)-5H-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(trichloromethyl)-5H-purine has 0 hydrogen bond donor(s) and 1 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 6-(trichloromethyl)-5H-purine?
The CAS number of 6-(trichloromethyl)-5H-purine is 2568-37-8.
What is the molecular formula of 6-(trichloromethyl)-5H-purine?
The molecular formula of 6-(trichloromethyl)-5H-purine is C6H3Cl3N4.
What is the molecular weight of 6-(trichloromethyl)-5H-purine?
The molecular weight of 6-(trichloromethyl)-5H-purine is 235.94 g/mol.
Where can I buy 6-(trichloromethyl)-5H-purine?
You can request a quote for 6-(trichloromethyl)-5H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(trichloromethyl)-5H-purine?
Yes, KEHONG BIO provides custom synthesis services for 6-(trichloromethyl)-5H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.