1,3,7-Trimethylhexahydro-1h-purine-2,6-dione
TL;DR: 1,3,7-Trimethylhexahydro-1h-purine-2,6-dione (CAS 60847-47-4) is a chemical compound with molecular formula C8H14N4O2 and molecular weight 198.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7-trimethyl-4,5,8,9-tetrahydropurine-2,6-dione
Also Known As: 1,3,7-trimethylhexahydro-1h-purine-2,6-dione, 1,3,7-trimethyl-2,6-dioxotetrahydropurine, 1,3,7-trimethyl-4,5,8,9-tetrahydropurine-2,6-dione, RefChem:217606
| Molecular Formula | C8H14N4O2 |
|---|---|
| Molecular Weight | 198.11 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.11168 |
| Heavy Atoms | 14 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 60847-47-4 |
|---|---|
| SMILES | CN1CNC2C1C(=O)N(C(=O)N2C)C |
| InChIKey | QISGHOCVHLUEOE-UHFFFAOYSA-N |
Product Overview
1,3,7-Trimethylhexahydro-1h-purine-2,6-dione (CAS 60847-47-4), with molecular formula C8H14N4O2 and molecular weight 198.11 g/mol. IUPAC: 1,3,7-trimethyl-4,5,8,9-tetrahydropurine-2,6-dione.
Chemical Property Profile of 1,3,7-Trimethylhexahydro-1h-purine-2,6-dione
Property Insights of 1,3,7-Trimethylhexahydro-1h-purine-2,6-dione
The XLogP value of -1.0 indicates that 1,3,7-Trimethylhexahydro-1h-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.9 Ų, 1,3,7-Trimethylhexahydro-1h-purine-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,7-Trimethylhexahydro-1h-purine-2,6-dione 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 1,3,7-Trimethylhexahydro-1h-purine-2,6-dione?
The CAS number of 1,3,7-Trimethylhexahydro-1h-purine-2,6-dione is 60847-47-4.
What is the molecular formula of 1,3,7-Trimethylhexahydro-1h-purine-2,6-dione?
The molecular formula of 1,3,7-Trimethylhexahydro-1h-purine-2,6-dione is C8H14N4O2.
What is the molecular weight of 1,3,7-Trimethylhexahydro-1h-purine-2,6-dione?
The molecular weight of 1,3,7-Trimethylhexahydro-1h-purine-2,6-dione is 198.11 g/mol.
Where can I buy 1,3,7-Trimethylhexahydro-1h-purine-2,6-dione?
You can request a quote for 1,3,7-Trimethylhexahydro-1h-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 1,3,7-Trimethylhexahydro-1h-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3,7-Trimethylhexahydro-1h-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.