9-Benzyl-2-fluoro-n,n-dimethyl-9h-purin-6-amine
TL;DR: 9-Benzyl-2-fluoro-n,n-dimethyl-9h-purin-6-amine (CAS 21696-06-0) is a chemical compound with molecular formula C14H14FN5 and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-2-fluoro-N,N-dimethylpurin-6-amine
Also Known As: 9-benzyl-2-fluoro-n,n-dimethyl-9h-purin-6-amine, 5-(3-chloro-2-hydroxypropoxy)pentan-1-ol, 9-benzyl-2-fluoro-N,N-dimethylpurin-6-amine
| Molecular Formula | C14H14FN5 |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 46.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.12332 |
| Heavy Atoms | 20 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 21696-06-0 |
|---|---|
| SMILES | CN(C)C1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)F |
| InChIKey | AMJIXKKHYWJRIO-UHFFFAOYSA-N |
Product Overview
9-Benzyl-2-fluoro-n,n-dimethyl-9h-purin-6-amine (CAS 21696-06-0), with molecular formula C14H14FN5 and molecular weight 271.12 g/mol. IUPAC: 9-benzyl-2-fluoro-N,N-dimethylpurin-6-amine.
Chemical Property Profile of 9-Benzyl-2-fluoro-n,n-dimethyl-9h-purin-6-amine
Property Insights of 9-Benzyl-2-fluoro-n,n-dimethyl-9h-purin-6-amine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Benzyl-2-fluoro-n,n-dimethyl-9h-purin-6-amine. With a topological polar surface area (TPSA) of 46.8 Ų, 9-Benzyl-2-fluoro-n,n-dimethyl-9h-purin-6-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Benzyl-2-fluoro-n,n-dimethyl-9h-purin-6-amine 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-Benzyl-2-fluoro-n,n-dimethyl-9h-purin-6-amine?
The CAS number of 9-Benzyl-2-fluoro-n,n-dimethyl-9h-purin-6-amine is 21696-06-0.
What is the molecular formula of 9-Benzyl-2-fluoro-n,n-dimethyl-9h-purin-6-amine?
The molecular formula of 9-Benzyl-2-fluoro-n,n-dimethyl-9h-purin-6-amine is C14H14FN5.
What is the molecular weight of 9-Benzyl-2-fluoro-n,n-dimethyl-9h-purin-6-amine?
The molecular weight of 9-Benzyl-2-fluoro-n,n-dimethyl-9h-purin-6-amine is 271.12 g/mol.
Where can I buy 9-Benzyl-2-fluoro-n,n-dimethyl-9h-purin-6-amine?
You can request a quote for 9-Benzyl-2-fluoro-n,n-dimethyl-9h-purin-6-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Benzyl-2-fluoro-n,n-dimethyl-9h-purin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for 9-Benzyl-2-fluoro-n,n-dimethyl-9h-purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.