8-(aminomethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(aminomethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 178675-82-6) is a chemical compound with molecular formula C9H13N5O2 and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(aminomethyl)-1,3,7-trimethylpurine-2,6-dione
Also Known As: 8-(aminomethyl)-1,3,7-trimethylpurine-2,6-dione, AE-641/10451022, 8-(aminomethyl)-1,3,7-trimethyl-purine-2,6-dione, 8-(aminomethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-Aminomethyl-1,3,7-trimethyl-3,7-dihydro-purin-2,6-dion
| Molecular Formula | C9H13N5O2 |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | -1.5706 |
| Topological Polar Surface Area | 87.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.10692 |
| Heavy Atoms | 16 |
| Complexity | 675.73486 |
Chemical Identifiers
| CAS Number | 178675-82-6 |
|---|---|
| SMILES | CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN |
Product Overview
8-(aminomethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 178675-82-6), with molecular formula C9H13N5O2 and molecular weight 223.11 g/mol. IUPAC: 8-(aminomethyl)-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-(aminomethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(aminomethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of -1.5706 indicates that 8-(aminomethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(aminomethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(aminomethyl)-1,3,7-trimethyl-3,7-dihydro-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-(aminomethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(aminomethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione is 178675-82-6.
What is the molecular formula of 8-(aminomethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(aminomethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione is C9H13N5O2.
What is the molecular weight of 8-(aminomethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(aminomethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione is 223.11 g/mol.
Where can I buy 8-(aminomethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(aminomethyl)-1,3,7-trimethyl-3,7-dihydro-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-(aminomethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(aminomethyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.