6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine
TL;DR: 6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine (CAS 94094-16-3) is a chemical compound with molecular formula C16H17Cl2N5S and molecular weight 381.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2,4-dichlorophenyl)methylsulfanyl]-9-(2-methylpropyl)purin-2-amine
Also Known As: NCI60_004129, 9H-Purine,4-dichlorobenzylthio)-9-isobutyl-, 6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine, 6-((2,4-dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-ylamine, 9H-Purin-2-amine,4-dichlorophenyl)methyl]thio]-9-(2-methylpropyl)-
| Molecular Formula | C16H17Cl2N5S |
|---|---|
| Molecular Weight | 381.06 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.05817 |
| Heavy Atoms | 24 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 94094-16-3 |
|---|---|
| SMILES | CC(C)CN1C=NC2=C1N=C(N=C2SCC3=C(C=C(C=C3)Cl)Cl)N |
| InChIKey | MLXSKOFAXKBMOL-UHFFFAOYSA-N |
Product Overview
6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine (CAS 94094-16-3), with molecular formula C16H17Cl2N5S and molecular weight 381.06 g/mol. IUPAC: 6-[(2,4-dichlorophenyl)methylsulfanyl]-9-(2-methylpropyl)purin-2-amine.
Chemical Property Profile of 6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine
Property Insights of 6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine
The XLogP value of 4.6 indicates that 6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine. Following Lipinski's Rule of Five, 6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine 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 6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine?
The CAS number of 6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine is 94094-16-3.
What is the molecular formula of 6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine?
The molecular formula of 6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine is C16H17Cl2N5S.
What is the molecular weight of 6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine?
The molecular weight of 6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine is 381.06 g/mol.
Where can I buy 6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine?
You can request a quote for 6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.