1-Methyl-8-nitro-3,7-dihydropurine-2,6-dione
TL;DR: 1-Methyl-8-nitro-3,7-dihydropurine-2,6-dione (CAS 34617-97-5) is a chemical compound with molecular formula C6H5N5O4 and molecular weight 211.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-8-nitro-3,7-dihydropurine-2,6-dione
Also Known As: 1-methyl-8-nitroxanthine, 1-methyl-8-nitro-3,7-dihydropurine-2,6-dione
| Molecular Formula | C6H5N5O4 |
|---|---|
| Molecular Weight | 211.03 g/mol |
| LogP | -1.1419 |
| Topological Polar Surface Area | 126.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.03415 |
| Heavy Atoms | 15 |
| Complexity | 662.19257 |
Chemical Identifiers
| CAS Number | 34617-97-5 |
|---|---|
| SMILES | CN1C(=O)C2=C(NC1=O)N=C(N2)[N+](=O)[O-] |
Product Overview
1-Methyl-8-nitro-3,7-dihydropurine-2,6-dione (CAS 34617-97-5), with molecular formula C6H5N5O4 and molecular weight 211.03 g/mol. IUPAC: 1-methyl-8-nitro-3,7-dihydropurine-2,6-dione.
Chemical Property Profile of 1-Methyl-8-nitro-3,7-dihydropurine-2,6-dione
Property Insights of 1-Methyl-8-nitro-3,7-dihydropurine-2,6-dione
The XLogP value of -1.1419 indicates that 1-Methyl-8-nitro-3,7-dihydropurine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-8-nitro-3,7-dihydropurine-2,6-dione. Following Lipinski's Rule of Five, 1-Methyl-8-nitro-3,7-dihydropurine-2,6-dione has 2 hydrogen bond donor(s) and 5 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-Methyl-8-nitro-3,7-dihydropurine-2,6-dione?
The CAS number of 1-Methyl-8-nitro-3,7-dihydropurine-2,6-dione is 34617-97-5.
What is the molecular formula of 1-Methyl-8-nitro-3,7-dihydropurine-2,6-dione?
The molecular formula of 1-Methyl-8-nitro-3,7-dihydropurine-2,6-dione is C6H5N5O4.
What is the molecular weight of 1-Methyl-8-nitro-3,7-dihydropurine-2,6-dione?
The molecular weight of 1-Methyl-8-nitro-3,7-dihydropurine-2,6-dione is 211.03 g/mol.
Where can I buy 1-Methyl-8-nitro-3,7-dihydropurine-2,6-dione?
You can request a quote for 1-Methyl-8-nitro-3,7-dihydropurine-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 1-Methyl-8-nitro-3,7-dihydropurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-8-nitro-3,7-dihydropurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.