6-(Benzylthio)-purin-2-ol
TL;DR: 6-(Benzylthio)-purin-2-ol (CAS 5446-42-4) is a chemical compound with molecular formula C12H10N4OS and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanyl-3,7-dihydropurin-2-one
Also Known As: 6-(Benzylthio)purin-2-ol, Purin-2-ol, 6-(benzylthio)-, 6-(Benzylthio)-purin-2-ol, 6-(benzylsulfanyl)-7h-purin-2-ol, 6-Benzylsulfanyl-9H-purin-2-ol
| Molecular Formula | C12H10N4OS |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.05753 |
| Heavy Atoms | 18 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 5446-42-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC(=O)NC3=C2NC=N3 |
| InChIKey | XKLXGBRBFJZZOP-UHFFFAOYSA-N |
Product Overview
6-(Benzylthio)-purin-2-ol (CAS 5446-42-4), with molecular formula C12H10N4OS and molecular weight 258.06 g/mol. IUPAC: 6-benzylsulfanyl-3,7-dihydropurin-2-one.
Chemical Property Profile of 6-(Benzylthio)-purin-2-ol
Property Insights of 6-(Benzylthio)-purin-2-ol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Benzylthio)-purin-2-ol. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Benzylthio)-purin-2-ol. Following Lipinski's Rule of Five, 6-(Benzylthio)-purin-2-ol has 2 hydrogen bond donor(s) and 3 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-(Benzylthio)-purin-2-ol?
The CAS number of 6-(Benzylthio)-purin-2-ol is 5446-42-4.
What is the molecular formula of 6-(Benzylthio)-purin-2-ol?
The molecular formula of 6-(Benzylthio)-purin-2-ol is C12H10N4OS.
What is the molecular weight of 6-(Benzylthio)-purin-2-ol?
The molecular weight of 6-(Benzylthio)-purin-2-ol is 258.06 g/mol.
Where can I buy 6-(Benzylthio)-purin-2-ol?
You can request a quote for 6-(Benzylthio)-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-(Benzylthio)-purin-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-(Benzylthio)-purin-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.