2-Fluoro-9-benzylpurine
TL;DR: 2-Fluoro-9-benzylpurine (CAS 89820-23-5) 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-2-fluoropurine
Also Known As: 2-Fbpu, 2-Fluoro-9-benzylpurine, 9-benzyl-2-fluoropurine, 9-Benzyl-2-fluoro-9H-purine, 9H-Purine, 2-fluoro-9-(phenylmethyl)-
| Molecular Formula | C12H9FN4 |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.08113 |
| Heavy Atoms | 17 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 89820-23-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC3=CN=C(N=C32)F |
| InChIKey | KXTNURUOEPAGMZ-UHFFFAOYSA-N |
Product Overview
2-Fluoro-9-benzylpurine (CAS 89820-23-5), with molecular formula C12H9FN4 and molecular weight 228.08 g/mol. IUPAC: 9-benzyl-2-fluoropurine.
Chemical Property Profile of 2-Fluoro-9-benzylpurine
Property Insights of 2-Fluoro-9-benzylpurine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-9-benzylpurine. With a topological polar surface area (TPSA) of 43.6 Ų, 2-Fluoro-9-benzylpurine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-9-benzylpurine has 0 hydrogen bond donor(s) and 4 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-Fluoro-9-benzylpurine?
The CAS number of 2-Fluoro-9-benzylpurine is 89820-23-5.
What is the molecular formula of 2-Fluoro-9-benzylpurine?
The molecular formula of 2-Fluoro-9-benzylpurine is C12H9FN4.
What is the molecular weight of 2-Fluoro-9-benzylpurine?
The molecular weight of 2-Fluoro-9-benzylpurine is 228.08 g/mol.
Where can I buy 2-Fluoro-9-benzylpurine?
You can request a quote for 2-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 2-Fluoro-9-benzylpurine?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-9-benzylpurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.