1,3-Dimethyl-8-pyridyl-1,3,7-trihydropurine-2,6-dione
TL;DR: 1,3-Dimethyl-8-pyridyl-1,3,7-trihydropurine-2,6-dione (CAS 52943-89-2) is a chemical compound with molecular formula C12H11N5O2 and molecular weight 257.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-2-oxo-8-pyridin-1-ium-1-ylpurin-6-olate
Also Known As: 8-pyridiniotheophyl-linate, 1,3-dimethyl-8-pyridyl-1,3,7-trihydropurine-2,6-dione, 1,3-dimethyl-2-oxo-8-pyridin-1-ium-1-ylpurin-6-olate, 1,3-Dimethyl-2-oxo-8-(pyridin-1-ium-1-yl)-2,3-dihydro-1H-purin-6-olate, 1,3-dimethyl-2,6-dioxo-8-(pyridin-1-ium-1-yl)-1,2,3,6-tetrahydropurin-7-ide
| Molecular Formula | C12H11N5O2 |
|---|---|
| Molecular Weight | 257.09 g/mol |
| LogP | -1.0311 |
| Topological Polar Surface Area | 79.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.09128 |
| Heavy Atoms | 19 |
| Complexity | 775.0026 |
Chemical Identifiers
| CAS Number | 52943-89-2 |
|---|---|
| SMILES | CN1C(=C2C(=NC(=N2)[N+]3=CC=CC=C3)N(C1=O)C)[O-] |
Product Overview
1,3-Dimethyl-8-pyridyl-1,3,7-trihydropurine-2,6-dione (CAS 52943-89-2), with molecular formula C12H11N5O2 and molecular weight 257.09 g/mol. IUPAC: 1,3-dimethyl-2-oxo-8-pyridin-1-ium-1-ylpurin-6-olate.
Chemical Property Profile of 1,3-Dimethyl-8-pyridyl-1,3,7-trihydropurine-2,6-dione
Property Insights of 1,3-Dimethyl-8-pyridyl-1,3,7-trihydropurine-2,6-dione
The XLogP value of -1.0311 indicates that 1,3-Dimethyl-8-pyridyl-1,3,7-trihydropurine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-8-pyridyl-1,3,7-trihydropurine-2,6-dione. Following Lipinski's Rule of Five, 1,3-Dimethyl-8-pyridyl-1,3,7-trihydropurine-2,6-dione has 0 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-8-pyridyl-1,3,7-trihydropurine-2,6-dione?
The CAS number of 1,3-Dimethyl-8-pyridyl-1,3,7-trihydropurine-2,6-dione is 52943-89-2.
What is the molecular formula of 1,3-Dimethyl-8-pyridyl-1,3,7-trihydropurine-2,6-dione?
The molecular formula of 1,3-Dimethyl-8-pyridyl-1,3,7-trihydropurine-2,6-dione is C12H11N5O2.
What is the molecular weight of 1,3-Dimethyl-8-pyridyl-1,3,7-trihydropurine-2,6-dione?
The molecular weight of 1,3-Dimethyl-8-pyridyl-1,3,7-trihydropurine-2,6-dione is 257.09 g/mol.
Where can I buy 1,3-Dimethyl-8-pyridyl-1,3,7-trihydropurine-2,6-dione?
You can request a quote for 1,3-Dimethyl-8-pyridyl-1,3,7-trihydropurine-2,6-dione 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-8-pyridyl-1,3,7-trihydropurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-8-pyridyl-1,3,7-trihydropurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.