![6-[(2-phenylethyl)sulfanyl]-9H-purine structure](/static/products/5443/5443-90-3.webp)
6-[(2-phenylethyl)sulfanyl]-9H-purine
TL;DR: 6-[(2-phenylethyl)sulfanyl]-9H-purine (CAS 5443-90-3) is a chemical compound with molecular formula C13H12N4S and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-phenylethylsulfanyl)-7H-purine
Also Known As: ChemDiv2_003244, 6-[(2-phenylethyl)sulfanyl]-9H-purine, 6-(2-phenylethylthio)purine, 6-(phenethylthio)-9h-purine, 6-phenethylsulfanyl-5H-purine
| Molecular Formula | C13H12N4S |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.07828 |
| Heavy Atoms | 18 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 5443-90-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCSC2=NC=NC3=C2NC=N3 |
| InChIKey | VCGOEBQQKCPKEN-UHFFFAOYSA-N |
Product Overview
6-[(2-phenylethyl)sulfanyl]-9H-purine (CAS 5443-90-3), with molecular formula C13H12N4S and molecular weight 256.08 g/mol. IUPAC: 6-(2-phenylethylsulfanyl)-7H-purine.
Chemical Property Profile of 6-[(2-phenylethyl)sulfanyl]-9H-purine
Property Insights of 6-[(2-phenylethyl)sulfanyl]-9H-purine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(2-phenylethyl)sulfanyl]-9H-purine. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(2-phenylethyl)sulfanyl]-9H-purine. Following Lipinski's Rule of Five, 6-[(2-phenylethyl)sulfanyl]-9H-purine 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 6-[(2-phenylethyl)sulfanyl]-9H-purine?
The CAS number of 6-[(2-phenylethyl)sulfanyl]-9H-purine is 5443-90-3.
What is the molecular formula of 6-[(2-phenylethyl)sulfanyl]-9H-purine?
The molecular formula of 6-[(2-phenylethyl)sulfanyl]-9H-purine is C13H12N4S.
What is the molecular weight of 6-[(2-phenylethyl)sulfanyl]-9H-purine?
The molecular weight of 6-[(2-phenylethyl)sulfanyl]-9H-purine is 256.08 g/mol.
Where can I buy 6-[(2-phenylethyl)sulfanyl]-9H-purine?
You can request a quote for 6-[(2-phenylethyl)sulfanyl]-9H-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-phenylethyl)sulfanyl]-9H-purine?
Yes, KEHONG BIO provides custom synthesis services for 6-[(2-phenylethyl)sulfanyl]-9H-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.