1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic acid
TL;DR: 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic acid (CAS 1672-28-2) is a chemical compound with molecular formula C10H14N4O5S and molecular weight 302.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propane-1-sulfonic acid
Also Known As: 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic acid, 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propane-1-sulfonic acid, 1-(7-Theophyllinyl)-3-propanesulfonic acid, 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulfonic acid, 7h-purine-7-propanesulfonic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
| Molecular Formula | C10H14N4O5S |
|---|---|
| Molecular Weight | 302.07 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.06848 |
| Heavy Atoms | 20 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 1672-28-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCS(=O)(=O)O |
| InChIKey | RSTSVFVCHWLPHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 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-propanesulphonic acid (CAS 1672-28-2), with molecular formula C10H14N4O5S and molecular weight 302.07 g/mol. IUPAC: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propane-1-sulfonic acid.
Chemical Property Profile of 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic acid
Property Insights of 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic acid
The XLogP value of -1.3 indicates that 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 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-propanesulphonic acid. Following Lipinski's Rule of Five, 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic acid 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 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic acid?
The CAS number of 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic acid is 1672-28-2.
What is the molecular formula of 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic acid?
The molecular formula of 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic acid is C10H14N4O5S.
What is the molecular weight of 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic acid?
The molecular weight of 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic acid is 302.07 g/mol.
Where can I buy 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic acid?
You can request a quote for 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic 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-propanesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-propanesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.