![6-[(2-phenylethyl)sulfanyl]-7H-purin-2-ol structure](/static/products/879/879472-64-7.png)
6-[(2-phenylethyl)sulfanyl]-7H-purin-2-ol
TL;DR: 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-ol (CAS 879472-64-7) 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-phenylethylsulfanyl)-3,7-dihydropurin-2-one
Also Known As: 6-phenethylsulfanyl-3,7-dihydropurin-2-one, 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-ol, 6-(phenethylthio)-3,7-dihydro-2H-purin-2-one, 6-(2-phenylethylsulfanyl)-3,7-dihydropurin-2-one, 6-[(2-phenylethyl)thio]-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C13H12N4OS |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 1.981 |
| Topological Polar Surface Area | 74.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.07318 |
| Heavy Atoms | 19 |
| Complexity | 734.988 |
Chemical Identifiers
| CAS Number | 879472-64-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCSC2=NC(=O)NC3=C2NC=N3 |
Product Overview
6-[(2-phenylethyl)sulfanyl]-7H-purin-2-ol (CAS 879472-64-7), with molecular formula C13H12N4OS and molecular weight 272.07 g/mol. IUPAC: 6-(2-phenylethylsulfanyl)-3,7-dihydropurin-2-one.
Chemical Property Profile of 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-ol
Property Insights of 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-ol
The XLogP value of 1.981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-ol. The TPSA of 74.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-ol. Following Lipinski's Rule of Five, 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-ol has 2 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]-7H-purin-2-ol?
The CAS number of 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-ol is 879472-64-7.
What is the molecular formula of 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-ol?
The molecular formula of 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-ol is C13H12N4OS.
What is the molecular weight of 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-ol?
The molecular weight of 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-ol is 272.07 g/mol.
Where can I buy 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-ol?
You can request a quote for 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-ol 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]-7H-purin-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-[(2-phenylethyl)sulfanyl]-7H-purin-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.