9-Benzyl-2-chloro-6-(trifluoromethyl)-9h-purine
TL;DR: 9-Benzyl-2-chloro-6-(trifluoromethyl)-9h-purine (CAS 20348-18-9) is a chemical compound with molecular formula C13H8ClF3N4 and molecular weight 312.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-2-chloro-6-(trifluoromethyl)purine
Also Known As: 9-benzyl-2-chloro-6-(trifluoromethyl)-9h-purine, 9-benzyl-2-chloro-6-(trifluoromethyl)purine, 9-Benzyl-2-chlor-6-trifluormethyl-purin, 9H-Purine,2-chloro-9-(phenylmethyl)-6-(trifluoromethyl)-
| Molecular Formula | C13H8ClF3N4 |
|---|---|
| Molecular Weight | 312.04 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.03897 |
| Heavy Atoms | 21 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 20348-18-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)Cl)C(F)(F)F |
| InChIKey | UFOXGOJMAWVABW-UHFFFAOYSA-N |
Product Overview
9-Benzyl-2-chloro-6-(trifluoromethyl)-9h-purine (CAS 20348-18-9), with molecular formula C13H8ClF3N4 and molecular weight 312.04 g/mol. IUPAC: 9-benzyl-2-chloro-6-(trifluoromethyl)purine.
Chemical Property Profile of 9-Benzyl-2-chloro-6-(trifluoromethyl)-9h-purine
Property Insights of 9-Benzyl-2-chloro-6-(trifluoromethyl)-9h-purine
The XLogP value of 3.5 indicates that 9-Benzyl-2-chloro-6-(trifluoromethyl)-9h-purine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 9-Benzyl-2-chloro-6-(trifluoromethyl)-9h-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Benzyl-2-chloro-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 9-Benzyl-2-chloro-6-(trifluoromethyl)-9h-purine?
The CAS number of 9-Benzyl-2-chloro-6-(trifluoromethyl)-9h-purine is 20348-18-9.
What is the molecular formula of 9-Benzyl-2-chloro-6-(trifluoromethyl)-9h-purine?
The molecular formula of 9-Benzyl-2-chloro-6-(trifluoromethyl)-9h-purine is C13H8ClF3N4.
What is the molecular weight of 9-Benzyl-2-chloro-6-(trifluoromethyl)-9h-purine?
The molecular weight of 9-Benzyl-2-chloro-6-(trifluoromethyl)-9h-purine is 312.04 g/mol.
Where can I buy 9-Benzyl-2-chloro-6-(trifluoromethyl)-9h-purine?
You can request a quote for 9-Benzyl-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 9-Benzyl-2-chloro-6-(trifluoromethyl)-9h-purine?
Yes, KEHONG BIO provides custom synthesis services for 9-Benzyl-2-chloro-6-(trifluoromethyl)-9h-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.