2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-8-carboxaldehyde
TL;DR: 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-8-carboxaldehyde (CAS 4921-54-4) is a chemical compound with molecular formula C8H8N4O3 and molecular weight 208.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyl-2,6-dioxopurine-8-carbaldehyde
Also Known As: 3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbaldehyde, theobromine-8-aldehyde, 3,7-dimethyl-2,6-dioxopurine-8-carbaldehyde, AB-323/13887478, 3,7-DIMETHYL-2,6-DIOXO-1H-PURINE-8-CARBALDEHYDE
| Molecular Formula | C8H8N4O3 |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | -1.2272 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.05965 |
| Heavy Atoms | 15 |
| Complexity | 660.80225 |
Chemical Identifiers
| CAS Number | 4921-54-4 |
|---|---|
| SMILES | CN1C(=NC2=C1C(=O)NC(=O)N2C)C=O |
Product Overview
2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-8-carboxaldehyde (CAS 4921-54-4), with molecular formula C8H8N4O3 and molecular weight 208.06 g/mol. IUPAC: 3,7-dimethyl-2,6-dioxopurine-8-carbaldehyde.
Chemical Property Profile of 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-8-carboxaldehyde
Property Insights of 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-8-carboxaldehyde
The XLogP value of -1.2272 indicates that 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-8-carboxaldehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-8-carboxaldehyde. Following Lipinski's Rule of Five, 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-8-carboxaldehyde has 1 hydrogen bond donor(s) and 4 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 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-8-carboxaldehyde?
The CAS number of 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-8-carboxaldehyde is 4921-54-4.
What is the molecular formula of 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-8-carboxaldehyde?
The molecular formula of 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-8-carboxaldehyde is C8H8N4O3.
What is the molecular weight of 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-8-carboxaldehyde?
The molecular weight of 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-8-carboxaldehyde is 208.06 g/mol.
Where can I buy 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-8-carboxaldehyde?
You can request a quote for 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-8-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-8-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6,7-Tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purine-8-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.