2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide
TL;DR: 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide (CAS 313470-69-8) is a chemical compound with molecular formula C9H11N5O3S and molecular weight 269.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
Also Known As: BAS 00491852, SDCCGMLS-0065458.P001, 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide, 2-(3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide, AB00667651-01
| Molecular Formula | C9H11N5O3S |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.05826 |
| Heavy Atoms | 18 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 313470-69-8 |
|---|---|
| SMILES | CN1C2=C(N=C1SCC(=O)N)N(C(=O)NC2=O)C |
| InChIKey | JGDURCKNUZFFTP-UHFFFAOYSA-N |
Product Overview
2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide (CAS 313470-69-8), with molecular formula C9H11N5O3S and molecular weight 269.06 g/mol. IUPAC: 2-(3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide.
Chemical Property Profile of 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide
Property Insights of 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide
The XLogP value of -0.8 indicates that 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide. Following Lipinski's Rule of Five, 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide has 2 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-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide?
The CAS number of 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide is 313470-69-8.
What is the molecular formula of 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide?
The molecular formula of 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide is C9H11N5O3S.
What is the molecular weight of 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide?
The molecular weight of 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide is 269.06 g/mol.
Where can I buy 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide?
You can request a quote for 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.