6-Methylmercaptopurine Riboside
TL;DR: 6-Methylmercaptopurine Riboside (CAS 342-69-8) is a chemical compound with molecular formula C11H14N4O4S and molecular weight 298.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol
Also Known As: 6-Methylmercaptopurine riboside, METHYLTHIOINOSINE, 6-Methylthioinosine, MMPR, Me6MPR
| Molecular Formula | C11H14N4O4S |
|---|---|
| Molecular Weight | 298.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.07358 |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
| Melting Point | 164 |
| Solubility | 5 to 10 mg/mL at 66 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 342-69-8 |
|---|---|
| SMILES | CSC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
| InChIKey | ZDRFDHHANOYUTE-IOSLPCCCSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methylmercaptopurine Riboside (CAS 342-69-8), with molecular formula C11H14N4O4S and molecular weight 298.07 g/mol. IUPAC: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol.
Chemical Property Profile of 6-Methylmercaptopurine Riboside
Property Insights of 6-Methylmercaptopurine Riboside
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methylmercaptopurine Riboside. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methylmercaptopurine Riboside. Following Lipinski's Rule of Five, 6-Methylmercaptopurine Riboside has 3 hydrogen bond donor(s) and 8 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-Methylmercaptopurine Riboside?
The CAS number of 6-Methylmercaptopurine Riboside is 342-69-8.
What is the molecular formula of 6-Methylmercaptopurine Riboside?
The molecular formula of 6-Methylmercaptopurine Riboside is C11H14N4O4S.
What is the molecular weight of 6-Methylmercaptopurine Riboside?
The molecular weight of 6-Methylmercaptopurine Riboside is 298.07 g/mol.
Where can I buy 6-Methylmercaptopurine Riboside?
You can request a quote for 6-Methylmercaptopurine Riboside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methylmercaptopurine Riboside?
Yes, KEHONG BIO provides custom synthesis services for 6-Methylmercaptopurine Riboside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.