1,8,9-trimethyl-3H-purine-2,6-dione
TL;DR: 1,8,9-trimethyl-3H-purine-2,6-dione (CAS 61080-28-2) is a chemical compound with molecular formula C8H10N4O2 and molecular weight 194.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8,9-trimethyl-3H-purine-2,6-dione
Also Known As: 1,8,9-trimethyl-3H-purine-2,6-dione, 1,8,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione, BAS 00444330, 1,8,9-trimethyl-1,3-dihydropurine-2,6-dione, 1H-Purine-2,6-dione, 3,9-dihydro-1,8,9-trimethyl-
| Molecular Formula | C8H10N4O2 |
|---|---|
| Molecular Weight | 194.08 g/mol |
| LogP | -0.73128 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.08037 |
| Heavy Atoms | 14 |
| Complexity | 616.52856 |
Chemical Identifiers
| CAS Number | 61080-28-2 |
|---|---|
| SMILES | CC1=NC2=C(N1C)NC(=O)N(C2=O)C |
Product Overview
1,8,9-trimethyl-3H-purine-2,6-dione (CAS 61080-28-2), with molecular formula C8H10N4O2 and molecular weight 194.08 g/mol. IUPAC: 1,8,9-trimethyl-3H-purine-2,6-dione.
Chemical Property Profile of 1,8,9-trimethyl-3H-purine-2,6-dione
Property Insights of 1,8,9-trimethyl-3H-purine-2,6-dione
The XLogP value of -0.73128 indicates that 1,8,9-trimethyl-3H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,8,9-trimethyl-3H-purine-2,6-dione. Following Lipinski's Rule of Five, 1,8,9-trimethyl-3H-purine-2,6-dione has 1 hydrogen bond donor(s) and 3 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 1,8,9-trimethyl-3H-purine-2,6-dione?
The CAS number of 1,8,9-trimethyl-3H-purine-2,6-dione is 61080-28-2.
What is the molecular formula of 1,8,9-trimethyl-3H-purine-2,6-dione?
The molecular formula of 1,8,9-trimethyl-3H-purine-2,6-dione is C8H10N4O2.
What is the molecular weight of 1,8,9-trimethyl-3H-purine-2,6-dione?
The molecular weight of 1,8,9-trimethyl-3H-purine-2,6-dione is 194.08 g/mol.
Where can I buy 1,8,9-trimethyl-3H-purine-2,6-dione?
You can request a quote for 1,8,9-trimethyl-3H-purine-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 1,8,9-trimethyl-3H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,8,9-trimethyl-3H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.