6-(2-phenoxyethylsulfanyl)-7H-purine
TL;DR: 6-(2-phenoxyethylsulfanyl)-7H-purine (CAS 5454-52-4) is a chemical compound with molecular formula C13H12N4OS and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-phenoxyethylsulfanyl)-7H-purine
Also Known As: 6-(2-phenoxyethylsulfanyl)-7H-purine, 6-(2-phenoxyethylthio)-7H-purine, 6-(2-Phenoxy-ethylsulfanyl)-9H-purine, 6-[(2-Phenoxyethyl)sulfanyl]-7H-purine, BAS 00511038
| Molecular Formula | C13H12N4OS |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 2.524 |
| Topological Polar Surface Area | 63.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.07318 |
| Heavy Atoms | 19 |
| Complexity | 655.8118 |
Chemical Identifiers
| CAS Number | 5454-52-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCCSC2=NC=NC3=C2NC=N3 |
Product Overview
6-(2-phenoxyethylsulfanyl)-7H-purine (CAS 5454-52-4), with molecular formula C13H12N4OS and molecular weight 272.07 g/mol. IUPAC: 6-(2-phenoxyethylsulfanyl)-7H-purine.
Chemical Property Profile of 6-(2-phenoxyethylsulfanyl)-7H-purine
Property Insights of 6-(2-phenoxyethylsulfanyl)-7H-purine
The XLogP value of 2.524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2-phenoxyethylsulfanyl)-7H-purine. The TPSA of 63.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2-phenoxyethylsulfanyl)-7H-purine. Following Lipinski's Rule of Five, 6-(2-phenoxyethylsulfanyl)-7H-purine 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-phenoxyethylsulfanyl)-7H-purine?
The CAS number of 6-(2-phenoxyethylsulfanyl)-7H-purine is 5454-52-4.
What is the molecular formula of 6-(2-phenoxyethylsulfanyl)-7H-purine?
The molecular formula of 6-(2-phenoxyethylsulfanyl)-7H-purine is C13H12N4OS.
What is the molecular weight of 6-(2-phenoxyethylsulfanyl)-7H-purine?
The molecular weight of 6-(2-phenoxyethylsulfanyl)-7H-purine is 272.07 g/mol.
Where can I buy 6-(2-phenoxyethylsulfanyl)-7H-purine?
You can request a quote for 6-(2-phenoxyethylsulfanyl)-7H-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-phenoxyethylsulfanyl)-7H-purine?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-phenoxyethylsulfanyl)-7H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.