9-amino-8-methyl-3H-purine-2,6-dione
TL;DR: 9-amino-8-methyl-3H-purine-2,6-dione (CAS 92659-19-3) is a chemical compound with molecular formula C6H7N5O2 and molecular weight 181.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-amino-8-methyl-3H-purine-2,6-dione
Also Known As: 9-amino-8-methylxanthine, 9-amino-8-methyl-3H-purine-2,6-dione, 9-Amino-8-methyl-3,9-dihydro-1H-purine-2,6-dione
| Molecular Formula | C6H7N5O2 |
|---|---|
| Molecular Weight | 181.06 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.05997 |
| Heavy Atoms | 13 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 92659-19-3 |
|---|---|
| SMILES | CC1=NC2=C(N1N)NC(=O)NC2=O |
| InChIKey | ZMKQWLNHOOBABV-UHFFFAOYSA-N |
Product Overview
9-amino-8-methyl-3H-purine-2,6-dione (CAS 92659-19-3), with molecular formula C6H7N5O2 and molecular weight 181.06 g/mol. IUPAC: 9-amino-8-methyl-3H-purine-2,6-dione.
Chemical Property Profile of 9-amino-8-methyl-3H-purine-2,6-dione
Property Insights of 9-amino-8-methyl-3H-purine-2,6-dione
The XLogP value of -0.6 indicates that 9-amino-8-methyl-3H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-amino-8-methyl-3H-purine-2,6-dione. Following Lipinski's Rule of Five, 9-amino-8-methyl-3H-purine-2,6-dione has 3 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 9-amino-8-methyl-3H-purine-2,6-dione?
The CAS number of 9-amino-8-methyl-3H-purine-2,6-dione is 92659-19-3.
What is the molecular formula of 9-amino-8-methyl-3H-purine-2,6-dione?
The molecular formula of 9-amino-8-methyl-3H-purine-2,6-dione is C6H7N5O2.
What is the molecular weight of 9-amino-8-methyl-3H-purine-2,6-dione?
The molecular weight of 9-amino-8-methyl-3H-purine-2,6-dione is 181.06 g/mol.
Where can I buy 9-amino-8-methyl-3H-purine-2,6-dione?
You can request a quote for 9-amino-8-methyl-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 9-amino-8-methyl-3H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-amino-8-methyl-3H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.