2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate
TL;DR: 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate (CAS 6735-33-7) is a chemical compound with molecular formula C11H13N4O4S- and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate
Also Known As: 2-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate, [(3-Methyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
| Molecular Formula | C11H13N4O4S- |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | -1.3247 |
| Topological Polar Surface Area | 112.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.06577 |
| Heavy Atoms | 20 |
| Complexity | 773.0467 |
Chemical Identifiers
| CAS Number | 6735-33-7 |
|---|---|
| SMILES | CCCN1C2=C(N=C1SCC(=O)[O-])N(C(=O)NC2=O)C |
Product Overview
2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate (CAS 6735-33-7), with molecular formula C11H13N4O4S- and molecular weight 297.07 g/mol. IUPAC: 2-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate.
Chemical Property Profile of 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate
Property Insights of 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate
The XLogP value of -1.3247 indicates that 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate. Following Lipinski's Rule of Five, 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate has 1 hydrogen bond donor(s) and 6 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-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate?
The CAS number of 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate is 6735-33-7.
What is the molecular formula of 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate?
The molecular formula of 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate is C11H13N4O4S-.
What is the molecular weight of 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate?
The molecular weight of 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate is 297.07 g/mol.
Where can I buy 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate?
You can request a quote for 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.