1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butyric acid
TL;DR: 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butyric acid (CAS 52083-48-4) is a chemical compound with molecular formula C11H14N4O4 and molecular weight 266.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoic acid
Also Known As: Ethyl trimethylsilylacetate, 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butyric acid, 4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)butanoic acid, 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoic acid, US12491188, Compound JA2-9
| Molecular Formula | C11H14N4O4 |
|---|---|
| Molecular Weight | 266.10 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.1015 |
| Heavy Atoms | 19 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 52083-48-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)O |
| InChIKey | KCQMWMWEALWVLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butyric acid (CAS 52083-48-4), with molecular formula C11H14N4O4 and molecular weight 266.10 g/mol. IUPAC: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoic acid.
Chemical Property Profile of 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butyric acid
Property Insights of 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butyric acid
The XLogP value of -0.7 indicates that 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butyric acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butyric acid. Following Lipinski's Rule of Five, 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butyric acid has 1 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 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butyric acid?
The CAS number of 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butyric acid is 52083-48-4.
What is the molecular formula of 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butyric acid?
The molecular formula of 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butyric acid is C11H14N4O4.
What is the molecular weight of 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butyric acid?
The molecular weight of 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butyric acid is 266.10 g/mol.
Where can I buy 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butyric acid?
You can request a quote for 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.