9-(3-s-Cyano-2-s-ethyl-2,3-dithiopentofuranosyl)-9h-purin-6-amine
TL;DR: 9-(3-s-Cyano-2-s-ethyl-2,3-dithiopentofuranosyl)-9h-purin-6-amine (CAS 5354-60-9) is a chemical compound with molecular formula C13H16N6O2S2 and molecular weight 352.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(6-aminopurin-9-yl)-4-ethylsulfanyl-2-(hydroxymethyl)oxolan-3-yl] thiocyanate
Also Known As: 9-(3-s-cyano-2-s-ethyl-2,3-dithiopentofuranosyl)-9h-purin-6-amine, [5-(6-aminopurin-9-yl)-4-ethylsulfanyl-2-(hydroxymethyl)oxolan-3-yl] thiocyanate
| Molecular Formula | C13H16N6O2S2 |
|---|---|
| Molecular Weight | 352.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.0776 |
| Heavy Atoms | 23 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 5354-60-9 |
|---|---|
| SMILES | CCSC1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)SC#N |
| InChIKey | IXDDMDSXYNAUMJ-UHFFFAOYSA-N |
Product Overview
9-(3-s-Cyano-2-s-ethyl-2,3-dithiopentofuranosyl)-9h-purin-6-amine (CAS 5354-60-9), with molecular formula C13H16N6O2S2 and molecular weight 352.08 g/mol. IUPAC: [5-(6-aminopurin-9-yl)-4-ethylsulfanyl-2-(hydroxymethyl)oxolan-3-yl] thiocyanate.
Chemical Property Profile of 9-(3-s-Cyano-2-s-ethyl-2,3-dithiopentofuranosyl)-9h-purin-6-amine
Property Insights of 9-(3-s-Cyano-2-s-ethyl-2,3-dithiopentofuranosyl)-9h-purin-6-amine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(3-s-Cyano-2-s-ethyl-2,3-dithiopentofuranosyl)-9h-purin-6-amine. The TPSA of 173.0 Ų indicates high polarity, suggesting 9-(3-s-Cyano-2-s-ethyl-2,3-dithiopentofuranosyl)-9h-purin-6-amine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-(3-s-Cyano-2-s-ethyl-2,3-dithiopentofuranosyl)-9h-purin-6-amine has 2 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-(3-s-Cyano-2-s-ethyl-2,3-dithiopentofuranosyl)-9h-purin-6-amine?
The CAS number of 9-(3-s-Cyano-2-s-ethyl-2,3-dithiopentofuranosyl)-9h-purin-6-amine is 5354-60-9.
What is the molecular formula of 9-(3-s-Cyano-2-s-ethyl-2,3-dithiopentofuranosyl)-9h-purin-6-amine?
The molecular formula of 9-(3-s-Cyano-2-s-ethyl-2,3-dithiopentofuranosyl)-9h-purin-6-amine is C13H16N6O2S2.
What is the molecular weight of 9-(3-s-Cyano-2-s-ethyl-2,3-dithiopentofuranosyl)-9h-purin-6-amine?
The molecular weight of 9-(3-s-Cyano-2-s-ethyl-2,3-dithiopentofuranosyl)-9h-purin-6-amine is 352.08 g/mol.
Where can I buy 9-(3-s-Cyano-2-s-ethyl-2,3-dithiopentofuranosyl)-9h-purin-6-amine?
You can request a quote for 9-(3-s-Cyano-2-s-ethyl-2,3-dithiopentofuranosyl)-9h-purin-6-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(3-s-Cyano-2-s-ethyl-2,3-dithiopentofuranosyl)-9h-purin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for 9-(3-s-Cyano-2-s-ethyl-2,3-dithiopentofuranosyl)-9h-purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.