8-Amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
TL;DR: 8-Amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (CAS 37789-28-9) is a chemical compound with molecular formula C8H11N5O2 and molecular weight 209.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-amino-1,3,7-trimethylpurine-2,6-dione
Also Known As: 8-Aminocaffeine, Caffeine, 8-amino-, Caffeine, 8-amino- (6CI), 8-amino-1,3,7-trimethylpurine-2,6-dione, 8-Amino-1,3,7-trimethylxanthine
| Molecular Formula | C8H11N5O2 |
|---|---|
| Molecular Weight | 209.09 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.09128 |
| Heavy Atoms | 15 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 37789-28-9 |
|---|---|
| SMILES | CN1C2=C(N=C1N)N(C(=O)N(C2=O)C)C |
| InChIKey | PQEIUJGJYPUELF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (CAS 37789-28-9), with molecular formula C8H11N5O2 and molecular weight 209.09 g/mol. IUPAC: 8-amino-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-Amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
Property Insights of 8-Amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
The XLogP value of -0.4 indicates that 8-Amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-Amino-3,7-dihydro-1,3,7-trimethyl-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 8-Amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione?
The CAS number of 8-Amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione is 37789-28-9.
What is the molecular formula of 8-Amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione?
The molecular formula of 8-Amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione is C8H11N5O2.
What is the molecular weight of 8-Amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione?
The molecular weight of 8-Amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione is 209.09 g/mol.
Where can I buy 8-Amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione?
You can request a quote for 8-Amino-3,7-dihydro-1,3,7-trimethyl-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 8-Amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.