9-(2-Chloro-6-fluorobenzyl)-6-dimethylaminopurine
TL;DR: 9-(2-Chloro-6-fluorobenzyl)-6-dimethylaminopurine (CAS 70091-23-5) is a chemical compound with molecular formula C14H13ClFN5 and molecular weight 305.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethylpurin-6-amine
Also Known As: 9-(2-Chloro-6-fluorobenzyl)-6-dimethylaminopurine, 9-(2-Chloro-6-fluorobenzyl)-N,N-dimethyl-9H-purin-6-amine, 9-(2-chloro-6-fluorobenzyl)-N6, N6 -dimethyladenine, 9-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethyl-9H-purin-6-amine, 9-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethylpurin-6-amine
| Molecular Formula | C14H13ClFN5 |
|---|---|
| Molecular Weight | 305.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 46.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.08435 |
| Heavy Atoms | 21 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 70091-23-5 |
|---|---|
| SMILES | CN(C)C1=NC=NC2=C1N=CN2CC3=C(C=CC=C3Cl)F |
| InChIKey | ZRTHYLLRNKJAEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-(2-Chloro-6-fluorobenzyl)-6-dimethylaminopurine (CAS 70091-23-5), with molecular formula C14H13ClFN5 and molecular weight 305.08 g/mol. IUPAC: 9-[(2-chloro-6-fluorophenyl)methyl]-N,N-dimethylpurin-6-amine.
Chemical Property Profile of 9-(2-Chloro-6-fluorobenzyl)-6-dimethylaminopurine
Property Insights of 9-(2-Chloro-6-fluorobenzyl)-6-dimethylaminopurine
The XLogP value of 3.2 indicates that 9-(2-Chloro-6-fluorobenzyl)-6-dimethylaminopurine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.8 Ų, 9-(2-Chloro-6-fluorobenzyl)-6-dimethylaminopurine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-(2-Chloro-6-fluorobenzyl)-6-dimethylaminopurine has 0 hydrogen bond donor(s) and 5 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-Chloro-6-fluorobenzyl)-6-dimethylaminopurine?
The CAS number of 9-(2-Chloro-6-fluorobenzyl)-6-dimethylaminopurine is 70091-23-5.
What is the molecular formula of 9-(2-Chloro-6-fluorobenzyl)-6-dimethylaminopurine?
The molecular formula of 9-(2-Chloro-6-fluorobenzyl)-6-dimethylaminopurine is C14H13ClFN5.
What is the molecular weight of 9-(2-Chloro-6-fluorobenzyl)-6-dimethylaminopurine?
The molecular weight of 9-(2-Chloro-6-fluorobenzyl)-6-dimethylaminopurine is 305.08 g/mol.
Where can I buy 9-(2-Chloro-6-fluorobenzyl)-6-dimethylaminopurine?
You can request a quote for 9-(2-Chloro-6-fluorobenzyl)-6-dimethylaminopurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(2-Chloro-6-fluorobenzyl)-6-dimethylaminopurine?
Yes, KEHONG BIO provides custom synthesis services for 9-(2-Chloro-6-fluorobenzyl)-6-dimethylaminopurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.