2-(1,3,9-Trimethyl-2,6-dioxopurin-8-yl)sulfanylacetonitrile
TL;DR: 2-(1,3,9-Trimethyl-2,6-dioxopurin-8-yl)sulfanylacetonitrile (CAS 897453-69-9) is a chemical compound with molecular formula C10H11N5O2S and molecular weight 265.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetonitrile
Also Known As: 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetonitrile, F2599-0101, 2-((1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)thio)acetonitrile, 2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetonitrile
| Molecular Formula | C10H11N5O2S |
|---|---|
| Molecular Weight | 265.06 g/mol |
| LogP | -0.41362 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.06335 |
| Heavy Atoms | 18 |
| Complexity | 776.62286 |
Chemical Identifiers
| CAS Number | 897453-69-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC#N |
Product Overview
2-(1,3,9-Trimethyl-2,6-dioxopurin-8-yl)sulfanylacetonitrile (CAS 897453-69-9), with molecular formula C10H11N5O2S and molecular weight 265.06 g/mol. IUPAC: 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetonitrile.
Chemical Property Profile of 2-(1,3,9-Trimethyl-2,6-dioxopurin-8-yl)sulfanylacetonitrile
Property Insights of 2-(1,3,9-Trimethyl-2,6-dioxopurin-8-yl)sulfanylacetonitrile
The XLogP value of -0.41362 indicates that 2-(1,3,9-Trimethyl-2,6-dioxopurin-8-yl)sulfanylacetonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3,9-Trimethyl-2,6-dioxopurin-8-yl)sulfanylacetonitrile. Following Lipinski's Rule of Five, 2-(1,3,9-Trimethyl-2,6-dioxopurin-8-yl)sulfanylacetonitrile has 0 hydrogen bond donor(s) and 5 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-(1,3,9-Trimethyl-2,6-dioxopurin-8-yl)sulfanylacetonitrile?
The CAS number of 2-(1,3,9-Trimethyl-2,6-dioxopurin-8-yl)sulfanylacetonitrile is 897453-69-9.
What is the molecular formula of 2-(1,3,9-Trimethyl-2,6-dioxopurin-8-yl)sulfanylacetonitrile?
The molecular formula of 2-(1,3,9-Trimethyl-2,6-dioxopurin-8-yl)sulfanylacetonitrile is C10H11N5O2S.
What is the molecular weight of 2-(1,3,9-Trimethyl-2,6-dioxopurin-8-yl)sulfanylacetonitrile?
The molecular weight of 2-(1,3,9-Trimethyl-2,6-dioxopurin-8-yl)sulfanylacetonitrile is 265.06 g/mol.
Where can I buy 2-(1,3,9-Trimethyl-2,6-dioxopurin-8-yl)sulfanylacetonitrile?
You can request a quote for 2-(1,3,9-Trimethyl-2,6-dioxopurin-8-yl)sulfanylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3,9-Trimethyl-2,6-dioxopurin-8-yl)sulfanylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3,9-Trimethyl-2,6-dioxopurin-8-yl)sulfanylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.