8-(Hydroxymethyl)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione
TL;DR: 8-(Hydroxymethyl)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 4261-16-9) is a chemical compound with molecular formula C8H10N4O3 and molecular weight 210.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(hydroxymethyl)-3,7-dimethylpurine-2,6-dione
Also Known As: 8-hydroxymethyltheobromine, 8-(hydroxymethyl)-3,7-dimethylpurine-2,6-dione, 8-(hydroxymethyl)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione, 8-(Hydroxymethyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(Hydroxymethyl)-3,7-dimethyl-purine-2,6-dione
| Molecular Formula | C8H10N4O3 |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.07529 |
| Heavy Atoms | 15 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 4261-16-9 |
|---|---|
| SMILES | CN1C(=NC2=C1C(=O)NC(=O)N2C)CO |
| InChIKey | ZBVLWXKLOOBRLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-(Hydroxymethyl)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione (CAS 4261-16-9), with molecular formula C8H10N4O3 and molecular weight 210.08 g/mol. IUPAC: 8-(hydroxymethyl)-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-(Hydroxymethyl)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione
Property Insights of 8-(Hydroxymethyl)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione
The XLogP value of -1.6 indicates that 8-(Hydroxymethyl)-3,7-dimethyl-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 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Hydroxymethyl)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(Hydroxymethyl)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione has 2 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-(Hydroxymethyl)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The CAS number of 8-(Hydroxymethyl)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione is 4261-16-9.
What is the molecular formula of 8-(Hydroxymethyl)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The molecular formula of 8-(Hydroxymethyl)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione is C8H10N4O3.
What is the molecular weight of 8-(Hydroxymethyl)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
The molecular weight of 8-(Hydroxymethyl)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione is 210.08 g/mol.
Where can I buy 8-(Hydroxymethyl)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
You can request a quote for 8-(Hydroxymethyl)-3,7-dimethyl-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-(Hydroxymethyl)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(Hydroxymethyl)-3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.