2-Amino-9-beta-D-ribofuranosyl-9H-purin-6-yl thiocyanate
TL;DR: 2-Amino-9-beta-D-ribofuranosyl-9H-purin-6-yl thiocyanate (CAS 6220-41-3) is a chemical compound with molecular formula C11H12N6O4S and molecular weight 324.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-sulfanylidenepurine-1-carbonitrile
Also Known As: 6-Thiocyanatoguanosine, 2-Amino-9-beta-D-ribofuranosyl-9H-purin-6-yl thiocyanate, Thiocyanic acid, 2-amino-9-beta-D-ribofuranosyl-9H-purin-6-yl ester, Thiocyanic acid, 2-amino-9-.beta.-D-ribofuranosyl-9H-purin-6-yl ester, 2-Imino-9-beta-D-ribofuranosyl-6-sulfanylidene-2,3,6,9-tetrahydro-1H-purine-1-carbonitrile
| Molecular Formula | C11H12N6O4S |
|---|---|
| Molecular Weight | 324.06 g/mol |
| LogP | -1.51483 |
| Topological Polar Surface Area | 155.37 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.0641 |
| Heavy Atoms | 22 |
| Complexity | 826.3222 |
Chemical Identifiers
| CAS Number | 6220-41-3 |
|---|---|
| SMILES | C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(N(C2=S)C#N)N |
Product Overview
2-Amino-9-beta-D-ribofuranosyl-9H-purin-6-yl thiocyanate (CAS 6220-41-3), with molecular formula C11H12N6O4S and molecular weight 324.06 g/mol. IUPAC: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-sulfanylidenepurine-1-carbonitrile.
Chemical Property Profile of 2-Amino-9-beta-D-ribofuranosyl-9H-purin-6-yl thiocyanate
Property Insights of 2-Amino-9-beta-D-ribofuranosyl-9H-purin-6-yl thiocyanate
The XLogP value of -1.51483 indicates that 2-Amino-9-beta-D-ribofuranosyl-9H-purin-6-yl thiocyanate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.37 Ų indicates high polarity, suggesting 2-Amino-9-beta-D-ribofuranosyl-9H-purin-6-yl thiocyanate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Amino-9-beta-D-ribofuranosyl-9H-purin-6-yl thiocyanate has 4 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-Amino-9-beta-D-ribofuranosyl-9H-purin-6-yl thiocyanate?
The CAS number of 2-Amino-9-beta-D-ribofuranosyl-9H-purin-6-yl thiocyanate is 6220-41-3.
What is the molecular formula of 2-Amino-9-beta-D-ribofuranosyl-9H-purin-6-yl thiocyanate?
The molecular formula of 2-Amino-9-beta-D-ribofuranosyl-9H-purin-6-yl thiocyanate is C11H12N6O4S.
What is the molecular weight of 2-Amino-9-beta-D-ribofuranosyl-9H-purin-6-yl thiocyanate?
The molecular weight of 2-Amino-9-beta-D-ribofuranosyl-9H-purin-6-yl thiocyanate is 324.06 g/mol.
Where can I buy 2-Amino-9-beta-D-ribofuranosyl-9H-purin-6-yl thiocyanate?
You can request a quote for 2-Amino-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 2-Amino-9-beta-D-ribofuranosyl-9H-purin-6-yl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-9-beta-D-ribofuranosyl-9H-purin-6-yl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.