8-Amino-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-Amino-1H-purine-2,6(3H,7H)-dione (CAS 5461-03-0) is a chemical compound with molecular formula C5H5N5O2 and molecular weight 167.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-amino-3,7-dihydropurine-2,6-dione
Also Known As: 8-Aminoxanthine, 8-Amino-1H-purine-2,6(3H,7H)-dione, 8-Amino-2,6-dihydroxypurine, 8-amino-3,7-dihydro-1h-purine-2,6-dione, 8-amino-3,7-dihydropurine-2,6-dione
| Molecular Formula | C5H5N5O2 |
|---|---|
| Molecular Weight | 167.04 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.04433 |
| Heavy Atoms | 12 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 5461-03-0 |
|---|---|
| SMILES | C12=C(NC(=O)NC1=O)N=C(N2)N |
| InChIKey | MWAMGTOITZRWMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Amino-1H-purine-2,6(3H,7H)-dione (CAS 5461-03-0), with molecular formula C5H5N5O2 and molecular weight 167.04 g/mol. IUPAC: 8-amino-3,7-dihydropurine-2,6-dione.
Chemical Property Profile of 8-Amino-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-Amino-1H-purine-2,6(3H,7H)-dione
The XLogP value of -1.1 indicates that 8-Amino-1H-purine-2,6(3H,7H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Amino-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-Amino-1H-purine-2,6(3H,7H)-dione has 4 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-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-Amino-1H-purine-2,6(3H,7H)-dione is 5461-03-0.
What is the molecular formula of 8-Amino-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-Amino-1H-purine-2,6(3H,7H)-dione is C5H5N5O2.
What is the molecular weight of 8-Amino-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-Amino-1H-purine-2,6(3H,7H)-dione is 167.04 g/mol.
Where can I buy 8-Amino-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-Amino-1H-purine-2,6(3H,7H)-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-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Amino-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.