9-(2-fluorobenzyl)-6-(methylamino)-9H-purine hydrochloride
TL;DR: 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine hydrochloride (CAS 101190-60-7) is a chemical compound with molecular formula C13H13ClFN5 and molecular weight 293.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(2-fluorophenyl)methyl]-N-methylpurin-6-amine;hydrochloride
Also Known As: BW A78U hydrochloride, BWA-78U hydrochloride, BW-A 78U HYDROCHLORIDE, 9H-Purin-6-amine, 9-((2-fluorophenyl)methyl)-N-methyl-, hydrochloride, 9-(2-Fluorobenzyl)-6-(methylamino)-9H-purine hydrochloride
| Molecular Formula | C13H13ClFN5 |
|---|---|
| Molecular Weight | 293.08 g/mol |
| LogP | 2.4772 |
| Topological Polar Surface Area | 55.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.08435 |
| Heavy Atoms | 20 |
| Complexity | 727.6083 |
Chemical Identifiers
| CAS Number | 101190-60-7 |
|---|---|
| SMILES | CNC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3F.Cl |
Product Overview
9-(2-fluorobenzyl)-6-(methylamino)-9H-purine hydrochloride (CAS 101190-60-7), with molecular formula C13H13ClFN5 and molecular weight 293.08 g/mol. IUPAC: 9-[(2-fluorophenyl)methyl]-N-methylpurin-6-amine;hydrochloride.
Chemical Property Profile of 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine hydrochloride
Property Insights of 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine hydrochloride
The XLogP value of 2.4772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine hydrochloride. With a topological polar surface area (TPSA) of 55.63 Ų, 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine hydrochloride has 1 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 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine hydrochloride?
The CAS number of 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine hydrochloride is 101190-60-7.
What is the molecular formula of 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine hydrochloride?
The molecular formula of 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine hydrochloride is C13H13ClFN5.
What is the molecular weight of 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine hydrochloride?
The molecular weight of 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine hydrochloride is 293.08 g/mol.
Where can I buy 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine hydrochloride?
You can request a quote for 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 9-(2-fluorobenzyl)-6-(methylamino)-9H-purine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.