Purine, 6-((o-fluorobenzyl)thio)-
TL;DR: Purine, 6-((o-fluorobenzyl)thio)- (CAS 3798-86-5) is a chemical compound with molecular formula C12H9FN4S and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2-fluorophenyl)methylsulfanyl]-7H-purine
Also Known As: 6-((o-Fluorobenzyl)thio)purine, Purine, 6-((o-fluorobenzyl)thio)-, Purine, 6-[(o-fluorobenzyl)thio]-, 6-[(2-fluorophenyl)methylsulfanyl]-7H-purine, Purine, 6-(o-fluorobenzylthio)-
| Molecular Formula | C12H9FN4S |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.0532 |
| Heavy Atoms | 18 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 3798-86-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NC=NC3=C2NC=N3)F |
| InChIKey | ZTWLCYDGHGMYOS-UHFFFAOYSA-N |
Product Overview
Purine, 6-((o-fluorobenzyl)thio)- (CAS 3798-86-5), with molecular formula C12H9FN4S and molecular weight 260.05 g/mol. IUPAC: 6-[(2-fluorophenyl)methylsulfanyl]-7H-purine.
Chemical Property Profile of Purine, 6-((o-fluorobenzyl)thio)-
Property Insights of Purine, 6-((o-fluorobenzyl)thio)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Purine, 6-((o-fluorobenzyl)thio)-. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Purine, 6-((o-fluorobenzyl)thio)-. Following Lipinski's Rule of Five, Purine, 6-((o-fluorobenzyl)thio)- 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
Frequently Asked Questions
What is the CAS number of Purine, 6-((o-fluorobenzyl)thio)-?
The CAS number of Purine, 6-((o-fluorobenzyl)thio)- is 3798-86-5.
What is the molecular formula of Purine, 6-((o-fluorobenzyl)thio)-?
The molecular formula of Purine, 6-((o-fluorobenzyl)thio)- is C12H9FN4S.
What is the molecular weight of Purine, 6-((o-fluorobenzyl)thio)-?
The molecular weight of Purine, 6-((o-fluorobenzyl)thio)- is 260.05 g/mol.
Where can I buy Purine, 6-((o-fluorobenzyl)thio)-?
You can request a quote for Purine, 6-((o-fluorobenzyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Purine, 6-((o-fluorobenzyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Purine, 6-((o-fluorobenzyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.