1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carbaldehyde
TL;DR: 1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carbaldehyde (CAS 81002-69-9) 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.
1,3-dimethyl-2,6-dioxo-7H-purine-8-carbaldehyde
Also Known As: NCIOpen2_004076, KST-1B8721, 1,3-dimethyl-2,6-dioxo-7H-purine-8-carbaldehyde, 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carbaldehyde, 1H-Purine-8-carboxaldehyde,2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-
| Molecular Formula | C8H8N4O3 |
|---|---|
| Molecular Weight | 208.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.05965 |
| Heavy Atoms | 15 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 81002-69-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C=O |
| InChIKey | QRJJUWRNDFXITA-UHFFFAOYSA-N |
Product Overview
1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carbaldehyde (CAS 81002-69-9), with molecular formula C8H8N4O3 and molecular weight 208.06 g/mol. IUPAC: 1,3-dimethyl-2,6-dioxo-7H-purine-8-carbaldehyde.
Chemical Property Profile of 1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carbaldehyde
Property Insights of 1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carbaldehyde
The XLogP value of -0.2 indicates that 1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carbaldehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carbaldehyde. Following Lipinski's Rule of Five, 1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carbaldehyde 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 1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carbaldehyde?
The CAS number of 1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carbaldehyde is 81002-69-9.
What is the molecular formula of 1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carbaldehyde?
The molecular formula of 1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carbaldehyde is C8H8N4O3.
What is the molecular weight of 1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carbaldehyde?
The molecular weight of 1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carbaldehyde is 208.06 g/mol.
Where can I buy 1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carbaldehyde?
You can request a quote for 1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.