8-(2,4-Dichloro-benzylsulfanyl)-9H-purin-6-ylamine
TL;DR: 8-(2,4-Dichloro-benzylsulfanyl)-9H-purin-6-ylamine (CAS 675843-86-4) is a chemical compound with molecular formula C12H9Cl2N5S and molecular weight 325.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2,4-dichlorophenyl)methylsulfanyl]-7H-purin-6-amine
Also Known As: BAS 05590133, 8-(2,4-Dichloro-benzylsulfanyl)-9H-purin-6-ylamine, 8-[(2,4-dichlorobenzyl)sulfanyl]-9H-purin-6-ylamine, AR-422/41674182, 8-[(2,4-dichlorophenyl)methylsulfanyl]-7H-purin-6-amine
| Molecular Formula | C12H9Cl2N5S |
|---|---|
| Molecular Weight | 325.00 g/mol |
| LogP | 3.5342 |
| Topological Polar Surface Area | 80.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.99557 |
| Heavy Atoms | 20 |
| Complexity | 773.6287 |
Chemical Identifiers
| CAS Number | 675843-86-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)CSC2=NC3=NC=NC(=C3N2)N |
Product Overview
8-(2,4-Dichloro-benzylsulfanyl)-9H-purin-6-ylamine (CAS 675843-86-4), with molecular formula C12H9Cl2N5S and molecular weight 325.00 g/mol. IUPAC: 8-[(2,4-dichlorophenyl)methylsulfanyl]-7H-purin-6-amine.
Chemical Property Profile of 8-(2,4-Dichloro-benzylsulfanyl)-9H-purin-6-ylamine
Property Insights of 8-(2,4-Dichloro-benzylsulfanyl)-9H-purin-6-ylamine
The XLogP value of 3.5342 indicates that 8-(2,4-Dichloro-benzylsulfanyl)-9H-purin-6-ylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(2,4-Dichloro-benzylsulfanyl)-9H-purin-6-ylamine. Following Lipinski's Rule of Five, 8-(2,4-Dichloro-benzylsulfanyl)-9H-purin-6-ylamine 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 8-(2,4-Dichloro-benzylsulfanyl)-9H-purin-6-ylamine?
The CAS number of 8-(2,4-Dichloro-benzylsulfanyl)-9H-purin-6-ylamine is 675843-86-4.
What is the molecular formula of 8-(2,4-Dichloro-benzylsulfanyl)-9H-purin-6-ylamine?
The molecular formula of 8-(2,4-Dichloro-benzylsulfanyl)-9H-purin-6-ylamine is C12H9Cl2N5S.
What is the molecular weight of 8-(2,4-Dichloro-benzylsulfanyl)-9H-purin-6-ylamine?
The molecular weight of 8-(2,4-Dichloro-benzylsulfanyl)-9H-purin-6-ylamine is 325.00 g/mol.
Where can I buy 8-(2,4-Dichloro-benzylsulfanyl)-9H-purin-6-ylamine?
You can request a quote for 8-(2,4-Dichloro-benzylsulfanyl)-9H-purin-6-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(2,4-Dichloro-benzylsulfanyl)-9H-purin-6-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 8-(2,4-Dichloro-benzylsulfanyl)-9H-purin-6-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.