6-Fluoro-9-benzylpurine
TL;DR: 6-Fluoro-9-benzylpurine (CAS 1545-97-7) is a chemical compound with molecular formula C12H9FN4 and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-6-fluoropurine
Also Known As: 6-Fluoro-9-benzylpurine, 9-benzyl-6-fluoro-9H-purine, 9-benzyl-6-fluoropurine, 6-Fluoro-9-benzyl-9H-purine, 6-Fluoro-9-benzylpurine-18F
| Molecular Formula | C12H9FN4 |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 2.0137 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.08113 |
| Heavy Atoms | 17 |
| Complexity | 647.9193 |
Chemical Identifiers
| CAS Number | 1545-97-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3F |
Product Overview
6-Fluoro-9-benzylpurine (CAS 1545-97-7), with molecular formula C12H9FN4 and molecular weight 228.08 g/mol. IUPAC: 9-benzyl-6-fluoropurine.
Chemical Property Profile of 6-Fluoro-9-benzylpurine
Property Insights of 6-Fluoro-9-benzylpurine
The XLogP value of 2.0137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Fluoro-9-benzylpurine. With a topological polar surface area (TPSA) of 43.6 Ų, 6-Fluoro-9-benzylpurine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Fluoro-9-benzylpurine has 0 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 6-Fluoro-9-benzylpurine?
The CAS number of 6-Fluoro-9-benzylpurine is 1545-97-7.
What is the molecular formula of 6-Fluoro-9-benzylpurine?
The molecular formula of 6-Fluoro-9-benzylpurine is C12H9FN4.
What is the molecular weight of 6-Fluoro-9-benzylpurine?
The molecular weight of 6-Fluoro-9-benzylpurine is 228.08 g/mol.
Where can I buy 6-Fluoro-9-benzylpurine?
You can request a quote for 6-Fluoro-9-benzylpurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Fluoro-9-benzylpurine?
Yes, KEHONG BIO provides custom synthesis services for 6-Fluoro-9-benzylpurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.