4-tert-butyl-2,6-dimethylbenzyl 9H-purin-6-yl sulfide
TL;DR: 4-tert-butyl-2,6-dimethylbenzyl 9H-purin-6-yl sulfide (CAS 724451-72-3) is a chemical compound with molecular formula C18H22N4S and molecular weight 326.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-7H-purine
Also Known As: 4-tert-butyl-2,6-dimethylbenzyl 9H-purin-6-yl sulfide, AQ-088/42181272, 6-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-9H-purine, 6-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-7H-purine
| Molecular Formula | C18H22N4S |
|---|---|
| Molecular Weight | 326.16 g/mol |
| LogP | 4.55954 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.15652 |
| Heavy Atoms | 23 |
| Complexity | 822.5891 |
Chemical Identifiers
| CAS Number | 724451-72-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1CSC2=NC=NC3=C2NC=N3)C)C(C)(C)C |
Product Overview
4-tert-butyl-2,6-dimethylbenzyl 9H-purin-6-yl sulfide (CAS 724451-72-3), with molecular formula C18H22N4S and molecular weight 326.16 g/mol. IUPAC: 6-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-7H-purine.
Chemical Property Profile of 4-tert-butyl-2,6-dimethylbenzyl 9H-purin-6-yl sulfide
Property Insights of 4-tert-butyl-2,6-dimethylbenzyl 9H-purin-6-yl sulfide
The XLogP value of 4.55954 indicates that 4-tert-butyl-2,6-dimethylbenzyl 9H-purin-6-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.46 Ų, 4-tert-butyl-2,6-dimethylbenzyl 9H-purin-6-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-butyl-2,6-dimethylbenzyl 9H-purin-6-yl sulfide 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 4-tert-butyl-2,6-dimethylbenzyl 9H-purin-6-yl sulfide?
The CAS number of 4-tert-butyl-2,6-dimethylbenzyl 9H-purin-6-yl sulfide is 724451-72-3.
What is the molecular formula of 4-tert-butyl-2,6-dimethylbenzyl 9H-purin-6-yl sulfide?
The molecular formula of 4-tert-butyl-2,6-dimethylbenzyl 9H-purin-6-yl sulfide is C18H22N4S.
What is the molecular weight of 4-tert-butyl-2,6-dimethylbenzyl 9H-purin-6-yl sulfide?
The molecular weight of 4-tert-butyl-2,6-dimethylbenzyl 9H-purin-6-yl sulfide is 326.16 g/mol.
Where can I buy 4-tert-butyl-2,6-dimethylbenzyl 9H-purin-6-yl sulfide?
You can request a quote for 4-tert-butyl-2,6-dimethylbenzyl 9H-purin-6-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-butyl-2,6-dimethylbenzyl 9H-purin-6-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-2,6-dimethylbenzyl 9H-purin-6-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.