9-(2-fluorobenzyl)-6-(methylamino)-9H-purine
TL;DR: 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine (CAS 101155-06-0) is a chemical compound with molecular formula C13H12FN5 and molecular weight 257.10767 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-[(2-fluorophenyl)methyl]-N-methylpurin-6-amine
Also Known As: BW-A 78U, BW A78U, BW-A78U, BW-A-78U, 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H12FN5 |
| Molecular Weight | 257.10767 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.10767 Da |
| Heavy Atoms | 19 |
| Complexity | 303.0 |
| SMILES | CNC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3F |
| InChIKey | MZABAGHILOTTOD-UHFFFAOYSA-N |
Chemical Property Profile of 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine
Property Insights of 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine. With a topological polar surface area (TPSA) of 55.6 Ų, 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine?
The CAS number of 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine is 101155-06-0.
What is the molecular formula of 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine?
The molecular formula of 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine is C13H12FN5.
What is the molecular weight of 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine?
The molecular weight of 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine is 257.10767 g/mol.
Where can I buy 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine?
You can request a quote for 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine?
Yes, CoreyChem provides custom synthesis services for 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.