9-beta-D-Ribofuranosyl-9H-purin-6-yl thiocyanate
TL;DR: 9-beta-D-Ribofuranosyl-9H-purin-6-yl thiocyanate (CAS 22376-31-4) is a chemical compound with molecular formula C11H11N5O4S and molecular weight 309.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl] thiocyanate
Also Known As: 9-beta-D-Ribofuranosyl-9H-purin-6-yl thiocyanate, 9-, A-d-ribofuranosyl-9h-purin-6-yl thiocyanate, 9-Pentofuranosyl-6-(thiocyanato)-9H-purine, 9-beta-D-Ribofuranosyl-6-(thiocyanato)-9H-purine
| Molecular Formula | C11H11N5O4S |
|---|---|
| Molecular Weight | 309.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.05316 |
| Heavy Atoms | 21 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 22376-31-4 |
|---|---|
| SMILES | C1=NC2=C(C(=N1)SC#N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
| InChIKey | NLXWYOBWXOZLIY-IOSLPCCCSA-N |
Product Overview
9-beta-D-Ribofuranosyl-9H-purin-6-yl thiocyanate (CAS 22376-31-4), with molecular formula C11H11N5O4S and molecular weight 309.05 g/mol. IUPAC: [9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl] thiocyanate.
Chemical Property Profile of 9-beta-D-Ribofuranosyl-9H-purin-6-yl thiocyanate
Property Insights of 9-beta-D-Ribofuranosyl-9H-purin-6-yl thiocyanate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-beta-D-Ribofuranosyl-9H-purin-6-yl thiocyanate. The TPSA of 163.0 Ų indicates high polarity, suggesting 9-beta-D-Ribofuranosyl-9H-purin-6-yl thiocyanate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-beta-D-Ribofuranosyl-9H-purin-6-yl thiocyanate 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 9-beta-D-Ribofuranosyl-9H-purin-6-yl thiocyanate?
The CAS number of 9-beta-D-Ribofuranosyl-9H-purin-6-yl thiocyanate is 22376-31-4.
What is the molecular formula of 9-beta-D-Ribofuranosyl-9H-purin-6-yl thiocyanate?
The molecular formula of 9-beta-D-Ribofuranosyl-9H-purin-6-yl thiocyanate is C11H11N5O4S.
What is the molecular weight of 9-beta-D-Ribofuranosyl-9H-purin-6-yl thiocyanate?
The molecular weight of 9-beta-D-Ribofuranosyl-9H-purin-6-yl thiocyanate is 309.05 g/mol.
Where can I buy 9-beta-D-Ribofuranosyl-9H-purin-6-yl thiocyanate?
You can request a quote for 9-beta-D-Ribofuranosyl-9H-purin-6-yl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-beta-D-Ribofuranosyl-9H-purin-6-yl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 9-beta-D-Ribofuranosyl-9H-purin-6-yl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.