1,3,7-Trimethylxanthin-6-ylglyoxal
TL;DR: 1,3,7-Trimethylxanthin-6-ylglyoxal (CAS 77840-23-4) is a chemical compound with molecular formula C10H10N4O4 and molecular weight 250.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)acetaldehyde
Also Known As: 1,3,7-Trimethylxanthin-6-ylglyoxal, 2-oxo-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)acetaldehyde, 1H-Purine-8-acetaldehyde, 2,3,6,7-tetrahydro-1,3,7-trimethyl-alpha,2,6-trioxo-, 1h-purine-8-acetaldehyde, 2,3,6,7-tetrahydro-1,3,7-trimethyl-, A,2,6-trioxo-
| Molecular Formula | C10H10N4O4 |
|---|---|
| Molecular Weight | 250.07 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 92.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.0702 |
| Heavy Atoms | 18 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 77840-23-4 |
|---|---|
| SMILES | CN1C2=C(N=C1C(=O)C=O)N(C(=O)N(C2=O)C)C |
| InChIKey | QIGARUURWDVAPZ-UHFFFAOYSA-N |
Product Overview
1,3,7-Trimethylxanthin-6-ylglyoxal (CAS 77840-23-4), with molecular formula C10H10N4O4 and molecular weight 250.07 g/mol. IUPAC: 2-oxo-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)acetaldehyde.
Chemical Property Profile of 1,3,7-Trimethylxanthin-6-ylglyoxal
Property Insights of 1,3,7-Trimethylxanthin-6-ylglyoxal
The XLogP value of -0.8 indicates that 1,3,7-Trimethylxanthin-6-ylglyoxal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,7-Trimethylxanthin-6-ylglyoxal. Following Lipinski's Rule of Five, 1,3,7-Trimethylxanthin-6-ylglyoxal has 0 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 1,3,7-Trimethylxanthin-6-ylglyoxal?
The CAS number of 1,3,7-Trimethylxanthin-6-ylglyoxal is 77840-23-4.
What is the molecular formula of 1,3,7-Trimethylxanthin-6-ylglyoxal?
The molecular formula of 1,3,7-Trimethylxanthin-6-ylglyoxal is C10H10N4O4.
What is the molecular weight of 1,3,7-Trimethylxanthin-6-ylglyoxal?
The molecular weight of 1,3,7-Trimethylxanthin-6-ylglyoxal is 250.07 g/mol.
Where can I buy 1,3,7-Trimethylxanthin-6-ylglyoxal?
You can request a quote for 1,3,7-Trimethylxanthin-6-ylglyoxal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,7-Trimethylxanthin-6-ylglyoxal?
Yes, KEHONG BIO provides custom synthesis services for 1,3,7-Trimethylxanthin-6-ylglyoxal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.