![2-[2,6-Bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol structure](/static/products/3788/3788-45-2.webp)
2-[2,6-Bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
TL;DR: 2-[2,6-Bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CAS 3788-45-2) is a chemical compound with molecular formula C12H16N4O4S2 and molecular weight 344.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,6-bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 2,6-Bis(methylsulfanyl)-9-pentofuranosyl-9H-purine, 2-[2,6-bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
| Molecular Formula | C12H16N4O4S2 |
|---|---|
| Molecular Weight | 344.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.0613 |
| Heavy Atoms | 22 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 3788-45-2 |
|---|---|
| SMILES | CSC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)SC |
| InChIKey | FTGZLZPNEHEUMH-UHFFFAOYSA-N |
Product Overview
2-[2,6-Bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CAS 3788-45-2), with molecular formula C12H16N4O4S2 and molecular weight 344.06 g/mol. IUPAC: 2-[2,6-bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 2-[2,6-Bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Property Insights of 2-[2,6-Bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2,6-Bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol. The TPSA of 164.0 Ų indicates high polarity, suggesting 2-[2,6-Bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[2,6-Bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol has 3 hydrogen bond donor(s) and 9 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-[2,6-Bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The CAS number of 2-[2,6-Bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is 3788-45-2.
What is the molecular formula of 2-[2,6-Bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The molecular formula of 2-[2,6-Bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is C12H16N4O4S2.
What is the molecular weight of 2-[2,6-Bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The molecular weight of 2-[2,6-Bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is 344.06 g/mol.
Where can I buy 2-[2,6-Bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
You can request a quote for 2-[2,6-Bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2,6-Bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-[2,6-Bis(methylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.