N-benzyl-N,9-bis(2,6-dichlorobenzyl)-9H-purin-6-amine
TL;DR: N-benzyl-N,9-bis(2,6-dichlorobenzyl)-9H-purin-6-amine (CAS 125486-33-1) is a chemical compound with molecular formula C26H19Cl4N5 and molecular weight 541.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-N,9-bis[(2,6-dichlorophenyl)methyl]purin-6-amine
Also Known As: N-benzyl-N,9-bis(2,6-dichlorobenzyl)-9H-purin-6-amine, N-benzyl-N,9-bis[(2,6-dichlorophenyl)methyl]purin-6-amine
| Molecular Formula | C26H19Cl4N5 |
|---|---|
| Molecular Weight | 541.04 g/mol |
| LogP | 7.695 |
| Topological Polar Surface Area | 46.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 541.0394 |
| Heavy Atoms | 35 |
| Complexity | 1445.9082 |
Chemical Identifiers
| CAS Number | 125486-33-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN(CC2=C(C=CC=C2Cl)Cl)C3=NC=NC4=C3N=CN4CC5=C(C=CC=C5Cl)Cl |
Product Overview
N-benzyl-N,9-bis(2,6-dichlorobenzyl)-9H-purin-6-amine (CAS 125486-33-1), with molecular formula C26H19Cl4N5 and molecular weight 541.04 g/mol. IUPAC: N-benzyl-N,9-bis[(2,6-dichlorophenyl)methyl]purin-6-amine.
Chemical Property Profile of N-benzyl-N,9-bis(2,6-dichlorobenzyl)-9H-purin-6-amine
Property Insights of N-benzyl-N,9-bis(2,6-dichlorobenzyl)-9H-purin-6-amine
The XLogP value of 7.695 indicates that N-benzyl-N,9-bis(2,6-dichlorobenzyl)-9H-purin-6-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.84 Ų, N-benzyl-N,9-bis(2,6-dichlorobenzyl)-9H-purin-6-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-N,9-bis(2,6-dichlorobenzyl)-9H-purin-6-amine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-benzyl-N,9-bis(2,6-dichlorobenzyl)-9H-purin-6-amine?
The CAS number of N-benzyl-N,9-bis(2,6-dichlorobenzyl)-9H-purin-6-amine is 125486-33-1.
What is the molecular formula of N-benzyl-N,9-bis(2,6-dichlorobenzyl)-9H-purin-6-amine?
The molecular formula of N-benzyl-N,9-bis(2,6-dichlorobenzyl)-9H-purin-6-amine is C26H19Cl4N5.
What is the molecular weight of N-benzyl-N,9-bis(2,6-dichlorobenzyl)-9H-purin-6-amine?
The molecular weight of N-benzyl-N,9-bis(2,6-dichlorobenzyl)-9H-purin-6-amine is 541.04 g/mol.
Where can I buy N-benzyl-N,9-bis(2,6-dichlorobenzyl)-9H-purin-6-amine?
You can request a quote for N-benzyl-N,9-bis(2,6-dichlorobenzyl)-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 N-benzyl-N,9-bis(2,6-dichlorobenzyl)-9H-purin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-N,9-bis(2,6-dichlorobenzyl)-9H-purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.