1,3,7-Trimethyl-5-(trichloromethyl)purine-2,6,8-trione
TL;DR: 1,3,7-Trimethyl-5-(trichloromethyl)purine-2,6,8-trione (CAS 122776-33-4) is a chemical compound with molecular formula C9H9Cl3N4O3 and molecular weight 325.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7-trimethyl-5-(trichloromethyl)purine-2,6,8-trione
Also Known As: 5-trichloromethyl-1,3,7-trimethyl-5,7-dihydrouric acid, 1,3,7-trimethyl-5-(trichloromethyl)purine-2,6,8-trione, 1,3,7-trimethyl-5-(trichloromethyl)-5,7-dihydro-1H-purine-2,6,8(3H)-trione
| Molecular Formula | C9H9Cl3N4O3 |
|---|---|
| Molecular Weight | 325.97 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 73.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 325.97403 |
| Heavy Atoms | 19 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 122776-33-4 |
|---|---|
| SMILES | CN1C2=NC(=O)N(C2(C(=O)N(C1=O)C)C(Cl)(Cl)Cl)C |
| InChIKey | PQTWWUMIUJZAMF-UHFFFAOYSA-N |
Product Overview
1,3,7-Trimethyl-5-(trichloromethyl)purine-2,6,8-trione (CAS 122776-33-4), with molecular formula C9H9Cl3N4O3 and molecular weight 325.97 g/mol. IUPAC: 1,3,7-trimethyl-5-(trichloromethyl)purine-2,6,8-trione.
Chemical Property Profile of 1,3,7-Trimethyl-5-(trichloromethyl)purine-2,6,8-trione
Property Insights of 1,3,7-Trimethyl-5-(trichloromethyl)purine-2,6,8-trione
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,7-Trimethyl-5-(trichloromethyl)purine-2,6,8-trione. The TPSA of 73.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,7-Trimethyl-5-(trichloromethyl)purine-2,6,8-trione. Following Lipinski's Rule of Five, 1,3,7-Trimethyl-5-(trichloromethyl)purine-2,6,8-trione has 0 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 1,3,7-Trimethyl-5-(trichloromethyl)purine-2,6,8-trione?
The CAS number of 1,3,7-Trimethyl-5-(trichloromethyl)purine-2,6,8-trione is 122776-33-4.
What is the molecular formula of 1,3,7-Trimethyl-5-(trichloromethyl)purine-2,6,8-trione?
The molecular formula of 1,3,7-Trimethyl-5-(trichloromethyl)purine-2,6,8-trione is C9H9Cl3N4O3.
What is the molecular weight of 1,3,7-Trimethyl-5-(trichloromethyl)purine-2,6,8-trione?
The molecular weight of 1,3,7-Trimethyl-5-(trichloromethyl)purine-2,6,8-trione is 325.97 g/mol.
Where can I buy 1,3,7-Trimethyl-5-(trichloromethyl)purine-2,6,8-trione?
You can request a quote for 1,3,7-Trimethyl-5-(trichloromethyl)purine-2,6,8-trione 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-Trimethyl-5-(trichloromethyl)purine-2,6,8-trione?
Yes, KEHONG BIO provides custom synthesis services for 1,3,7-Trimethyl-5-(trichloromethyl)purine-2,6,8-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.