9-((2,6-Dichlorophenyl)methyl)-9H-purin-6-amine
TL;DR: 9-((2,6-Dichlorophenyl)methyl)-9H-purin-6-amine (CAS 46022-05-3) is a chemical compound with molecular formula C12H9Cl2N5 and molecular weight 293.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[(2,6-dichlorophenyl)methyl]purin-6-amine
Also Known As: 6-Amino-9-(2,6-dichlorobenzyl)purine, 9-(2,6-dichlorobenzyl)-9h-purin-6-amine, 9-[(2,6-dichlorophenyl)methyl]purin-6-amine, 9-[(2,6-dichlorophenyl)methyl]-9H-purin-6-amine, 9-(2,6-dichlorobenzyl)-9H-purin-6-ylamine
| Molecular Formula | C12H9Cl2N5 |
|---|---|
| Molecular Weight | 293.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.0235 |
| Heavy Atoms | 19 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 46022-05-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CN2C=NC3=C(N=CN=C32)N)Cl |
| InChIKey | IZCBDBAVZPTJIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-((2,6-Dichlorophenyl)methyl)-9H-purin-6-amine (CAS 46022-05-3), with molecular formula C12H9Cl2N5 and molecular weight 293.02 g/mol. IUPAC: 9-[(2,6-dichlorophenyl)methyl]purin-6-amine.
Chemical Property Profile of 9-((2,6-Dichlorophenyl)methyl)-9H-purin-6-amine
Property Insights of 9-((2,6-Dichlorophenyl)methyl)-9H-purin-6-amine
The XLogP value of 3.0 indicates that 9-((2,6-Dichlorophenyl)methyl)-9H-purin-6-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-((2,6-Dichlorophenyl)methyl)-9H-purin-6-amine. Following Lipinski's Rule of Five, 9-((2,6-Dichlorophenyl)methyl)-9H-purin-6-amine 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-((2,6-Dichlorophenyl)methyl)-9H-purin-6-amine?
The CAS number of 9-((2,6-Dichlorophenyl)methyl)-9H-purin-6-amine is 46022-05-3.
What is the molecular formula of 9-((2,6-Dichlorophenyl)methyl)-9H-purin-6-amine?
The molecular formula of 9-((2,6-Dichlorophenyl)methyl)-9H-purin-6-amine is C12H9Cl2N5.
What is the molecular weight of 9-((2,6-Dichlorophenyl)methyl)-9H-purin-6-amine?
The molecular weight of 9-((2,6-Dichlorophenyl)methyl)-9H-purin-6-amine is 293.02 g/mol.
Where can I buy 9-((2,6-Dichlorophenyl)methyl)-9H-purin-6-amine?
You can request a quote for 9-((2,6-Dichlorophenyl)methyl)-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-((2,6-Dichlorophenyl)methyl)-9H-purin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for 9-((2,6-Dichlorophenyl)methyl)-9H-purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.