6-(4-pyridylmethylsulfanyl)-9H-purin-2-ol
TL;DR: 6-(4-pyridylmethylsulfanyl)-9H-purin-2-ol (CAS 646510-99-8) is a chemical compound with molecular formula C11H9N5OS and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(pyridin-4-ylmethylsulfanyl)-3,7-dihydropurin-2-one
Also Known As: 0.3 H2O, 6-(4-pyridylmethylsulfanyl)-9H-purin-2-ol, 6-(4-Benzylthiopyridine)2-hydroxypurine, 6-(pyridin-4-ylmethylsulfanyl)-3,7-dihydropurin-2-one, 2H-Purin-2-one, 1,3-dihydro-6-[(4-pyridinylmethyl)thio]-
| Molecular Formula | C11H9N5OS |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.0528 |
| Heavy Atoms | 18 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 646510-99-8 |
|---|---|
| SMILES | C1=CN=CC=C1CSC2=NC(=O)NC3=C2NC=N3 |
| InChIKey | FTFXYBVDIBONPZ-UHFFFAOYSA-N |
Product Overview
6-(4-pyridylmethylsulfanyl)-9H-purin-2-ol (CAS 646510-99-8), with molecular formula C11H9N5OS and molecular weight 259.05 g/mol. IUPAC: 6-(pyridin-4-ylmethylsulfanyl)-3,7-dihydropurin-2-one.
Chemical Property Profile of 6-(4-pyridylmethylsulfanyl)-9H-purin-2-ol
Property Insights of 6-(4-pyridylmethylsulfanyl)-9H-purin-2-ol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-pyridylmethylsulfanyl)-9H-purin-2-ol. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-pyridylmethylsulfanyl)-9H-purin-2-ol. Following Lipinski's Rule of Five, 6-(4-pyridylmethylsulfanyl)-9H-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-(4-pyridylmethylsulfanyl)-9H-purin-2-ol?
The CAS number of 6-(4-pyridylmethylsulfanyl)-9H-purin-2-ol is 646510-99-8.
What is the molecular formula of 6-(4-pyridylmethylsulfanyl)-9H-purin-2-ol?
The molecular formula of 6-(4-pyridylmethylsulfanyl)-9H-purin-2-ol is C11H9N5OS.
What is the molecular weight of 6-(4-pyridylmethylsulfanyl)-9H-purin-2-ol?
The molecular weight of 6-(4-pyridylmethylsulfanyl)-9H-purin-2-ol is 259.05 g/mol.
Where can I buy 6-(4-pyridylmethylsulfanyl)-9H-purin-2-ol?
You can request a quote for 6-(4-pyridylmethylsulfanyl)-9H-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-(4-pyridylmethylsulfanyl)-9H-purin-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-pyridylmethylsulfanyl)-9H-purin-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.