methyl 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate
TL;DR: methyl 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate (CAS 330816-63-2) is a chemical compound with molecular formula C10H12N4O4S and molecular weight 284.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetate
Also Known As: AB00667630-01, methyl 2-(3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetate, F0373-0119, methyl 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate, methyl 2-[(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
| Molecular Formula | C10H12N4O4S |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | -0.7746 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.05792 |
| Heavy Atoms | 19 |
| Complexity | 757.20105 |
Chemical Identifiers
| CAS Number | 330816-63-2 |
|---|---|
| SMILES | CN1C2=C(N=C1SCC(=O)OC)N(C(=O)NC2=O)C |
Product Overview
methyl 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate (CAS 330816-63-2), with molecular formula C10H12N4O4S and molecular weight 284.06 g/mol. IUPAC: methyl 2-(3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetate.
Chemical Property Profile of methyl 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate
Property Insights of methyl 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate
The XLogP value of -0.7746 indicates that methyl 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate. Following Lipinski's Rule of Five, methyl 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate 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 methyl 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate?
The CAS number of methyl 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate is 330816-63-2.
What is the molecular formula of methyl 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate?
The molecular formula of methyl 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate is C10H12N4O4S.
What is the molecular weight of methyl 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate?
The molecular weight of methyl 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate is 284.06 g/mol.
Where can I buy methyl 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate?
You can request a quote for methyl 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.