2'-C-Methyl-6-S-methyl-6-thioinosine
TL;DR: 2'-C-Methyl-6-S-methyl-6-thioinosine (CAS 172722-76-8) is a chemical compound with molecular formula C12H16N4O4S and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol
Also Known As: 2'-C-Methyl-6-S-methyl-6-thioinosine, 2'-C-Methyl-6-S-methyl-6-thio-inosine, Inosine,2'-C-methyl-6-S-methyl-6-thio- (9CI), 9-(2-C-Methyl-beta-D-ribofuranosyl)-6-(methylsulfanyl)-9H-purine, (2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol
| Molecular Formula | C12H16N4O4S |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | -0.4502 |
| Topological Polar Surface Area | 113.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.08923 |
| Heavy Atoms | 21 |
| Complexity | 661.7449 |
Chemical Identifiers
| CAS Number | 172722-76-8 |
|---|---|
| SMILES | C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3SC)CO)O)O |
Product Overview
2'-C-Methyl-6-S-methyl-6-thioinosine (CAS 172722-76-8), with molecular formula C12H16N4O4S and molecular weight 312.09 g/mol. IUPAC: (2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-(6-methylsulfanylpurin-9-yl)oxolane-3,4-diol.
Chemical Property Profile of 2'-C-Methyl-6-S-methyl-6-thioinosine
Property Insights of 2'-C-Methyl-6-S-methyl-6-thioinosine
The XLogP value of -0.4502 indicates that 2'-C-Methyl-6-S-methyl-6-thioinosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-C-Methyl-6-S-methyl-6-thioinosine. Following Lipinski's Rule of Five, 2'-C-Methyl-6-S-methyl-6-thioinosine 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 2'-C-Methyl-6-S-methyl-6-thioinosine?
The CAS number of 2'-C-Methyl-6-S-methyl-6-thioinosine is 172722-76-8.
What is the molecular formula of 2'-C-Methyl-6-S-methyl-6-thioinosine?
The molecular formula of 2'-C-Methyl-6-S-methyl-6-thioinosine is C12H16N4O4S.
What is the molecular weight of 2'-C-Methyl-6-S-methyl-6-thioinosine?
The molecular weight of 2'-C-Methyl-6-S-methyl-6-thioinosine is 312.09 g/mol.
Where can I buy 2'-C-Methyl-6-S-methyl-6-thioinosine?
You can request a quote for 2'-C-Methyl-6-S-methyl-6-thioinosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-C-Methyl-6-S-methyl-6-thioinosine?
Yes, KEHONG BIO provides custom synthesis services for 2'-C-Methyl-6-S-methyl-6-thioinosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.