9-((2-Chloro-6-fluorophenyl)methyl)-9H-purin-6-amine 1-oxide
TL;DR: 9-((2-Chloro-6-fluorophenyl)methyl)-9H-purin-6-amine 1-oxide (CAS 55779-19-6) is a chemical compound with molecular formula C12H9ClFN5O and molecular weight 293.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(2-chloro-6-fluorophenyl)methyl]-1-hydroxypurin-6-imine
Also Known As: Arprinocid-N-oxide, Arprinocid N-oxide, Arprinocid-1-N-oxide, KST-1A6157, 9-((2-Chloro-6-fluorophenyl)methyl)-9H-purin-6-amine 1-oxide
| Molecular Formula | C12H9ClFN5O |
|---|---|
| Molecular Weight | 293.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.04797 |
| Heavy Atoms | 20 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 55779-19-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CN2C=NC3=C2N=CN(C3=N)O)F |
| InChIKey | PUVNMSNIOJELAB-UHFFFAOYSA-N |
Product Overview
9-((2-Chloro-6-fluorophenyl)methyl)-9H-purin-6-amine 1-oxide (CAS 55779-19-6), with molecular formula C12H9ClFN5O and molecular weight 293.05 g/mol. IUPAC: 9-[(2-chloro-6-fluorophenyl)methyl]-1-hydroxypurin-6-imine.
Chemical Property Profile of 9-((2-Chloro-6-fluorophenyl)methyl)-9H-purin-6-amine 1-oxide
Property Insights of 9-((2-Chloro-6-fluorophenyl)methyl)-9H-purin-6-amine 1-oxide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-((2-Chloro-6-fluorophenyl)methyl)-9H-purin-6-amine 1-oxide. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-((2-Chloro-6-fluorophenyl)methyl)-9H-purin-6-amine 1-oxide. Following Lipinski's Rule of Five, 9-((2-Chloro-6-fluorophenyl)methyl)-9H-purin-6-amine 1-oxide has 2 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-fluorophenyl)methyl)-9H-purin-6-amine 1-oxide?
The CAS number of 9-((2-Chloro-6-fluorophenyl)methyl)-9H-purin-6-amine 1-oxide is 55779-19-6.
What is the molecular formula of 9-((2-Chloro-6-fluorophenyl)methyl)-9H-purin-6-amine 1-oxide?
The molecular formula of 9-((2-Chloro-6-fluorophenyl)methyl)-9H-purin-6-amine 1-oxide is C12H9ClFN5O.
What is the molecular weight of 9-((2-Chloro-6-fluorophenyl)methyl)-9H-purin-6-amine 1-oxide?
The molecular weight of 9-((2-Chloro-6-fluorophenyl)methyl)-9H-purin-6-amine 1-oxide is 293.05 g/mol.
Where can I buy 9-((2-Chloro-6-fluorophenyl)methyl)-9H-purin-6-amine 1-oxide?
You can request a quote for 9-((2-Chloro-6-fluorophenyl)methyl)-9H-purin-6-amine 1-oxide 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-fluorophenyl)methyl)-9H-purin-6-amine 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 9-((2-Chloro-6-fluorophenyl)methyl)-9H-purin-6-amine 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.