1H-Purine, 6-((6-deoxy-beta-D-glucopyranosyl)thio)-
TL;DR: 1H-Purine, 6-((6-deoxy-beta-D-glucopyranosyl)thio)- (CAS 114248-67-8) 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,4S,5R,6S)-2-methyl-6-(7H-purin-6-ylsulfanyl)oxane-3,4,5-triol
Also Known As: 6-Pdtg, 6-Purinyl 6-deoxy-1-thioglucopyranoside, 1H-Purine, 6-((6-deoxy-beta-D-glucopyranosyl)thio)-, Purin-6-yl 6-deoxy-1-thio-beta-D-glucopyranoside, 6-((6-Deoxy-beta-D-glucopyranosyl)thio)-1H-purine
| Molecular Formula | C11H14N4O4S |
|---|---|
| Molecular Weight | 298.07 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.07358 |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 114248-67-8 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=NC=NC3=C2NC=N3)O)O)O |
| InChIKey | TVPVIRSGJHKOBG-RYIOEUIJSA-N |
Product Overview
1H-Purine, 6-((6-deoxy-beta-D-glucopyranosyl)thio)- (CAS 114248-67-8), with molecular formula C11H14N4O4S and molecular weight 298.07 g/mol. IUPAC: (2R,3S,4S,5R,6S)-2-methyl-6-(7H-purin-6-ylsulfanyl)oxane-3,4,5-triol.
Chemical Property Profile of 1H-Purine, 6-((6-deoxy-beta-D-glucopyranosyl)thio)-
Property Insights of 1H-Purine, 6-((6-deoxy-beta-D-glucopyranosyl)thio)-
The XLogP value of -0.7 indicates that 1H-Purine, 6-((6-deoxy-beta-D-glucopyranosyl)thio)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.0 Ų indicates high polarity, suggesting 1H-Purine, 6-((6-deoxy-beta-D-glucopyranosyl)thio)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Purine, 6-((6-deoxy-beta-D-glucopyranosyl)thio)- has 4 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 1H-Purine, 6-((6-deoxy-beta-D-glucopyranosyl)thio)-?
The CAS number of 1H-Purine, 6-((6-deoxy-beta-D-glucopyranosyl)thio)- is 114248-67-8.
What is the molecular formula of 1H-Purine, 6-((6-deoxy-beta-D-glucopyranosyl)thio)-?
The molecular formula of 1H-Purine, 6-((6-deoxy-beta-D-glucopyranosyl)thio)- is C11H14N4O4S.
What is the molecular weight of 1H-Purine, 6-((6-deoxy-beta-D-glucopyranosyl)thio)-?
The molecular weight of 1H-Purine, 6-((6-deoxy-beta-D-glucopyranosyl)thio)- is 298.07 g/mol.
Where can I buy 1H-Purine, 6-((6-deoxy-beta-D-glucopyranosyl)thio)-?
You can request a quote for 1H-Purine, 6-((6-deoxy-beta-D-glucopyranosyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Purine, 6-((6-deoxy-beta-D-glucopyranosyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine, 6-((6-deoxy-beta-D-glucopyranosyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.