8-(methoxymethyl)-1,3-dimethyl-7H-purine-2,6-dione
TL;DR: 8-(methoxymethyl)-1,3-dimethyl-7H-purine-2,6-dione (CAS 7355-20-6) is a chemical compound with molecular formula C9H12N4O3 and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(methoxymethyl)-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-Methoxymethyl-theophylline, 8-(methoxymethyl)-1,3-dimethyl-7H-purine-2,6-dione, 8-(Methoxymethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(methoxymethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione, 8-(methoxymethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C9H12N4O3 |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.09094 |
| Heavy Atoms | 16 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 7355-20-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)COC |
| InChIKey | OCVAVOLNWODGRO-UHFFFAOYSA-N |
Product Overview
8-(methoxymethyl)-1,3-dimethyl-7H-purine-2,6-dione (CAS 7355-20-6), with molecular formula C9H12N4O3 and molecular weight 224.09 g/mol. IUPAC: 8-(methoxymethyl)-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-(methoxymethyl)-1,3-dimethyl-7H-purine-2,6-dione
Property Insights of 8-(methoxymethyl)-1,3-dimethyl-7H-purine-2,6-dione
The XLogP value of -0.3 indicates that 8-(methoxymethyl)-1,3-dimethyl-7H-purine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(methoxymethyl)-1,3-dimethyl-7H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(methoxymethyl)-1,3-dimethyl-7H-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-(methoxymethyl)-1,3-dimethyl-7H-purine-2,6-dione?
The CAS number of 8-(methoxymethyl)-1,3-dimethyl-7H-purine-2,6-dione is 7355-20-6.
What is the molecular formula of 8-(methoxymethyl)-1,3-dimethyl-7H-purine-2,6-dione?
The molecular formula of 8-(methoxymethyl)-1,3-dimethyl-7H-purine-2,6-dione is C9H12N4O3.
What is the molecular weight of 8-(methoxymethyl)-1,3-dimethyl-7H-purine-2,6-dione?
The molecular weight of 8-(methoxymethyl)-1,3-dimethyl-7H-purine-2,6-dione is 224.09 g/mol.
Where can I buy 8-(methoxymethyl)-1,3-dimethyl-7H-purine-2,6-dione?
You can request a quote for 8-(methoxymethyl)-1,3-dimethyl-7H-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-(methoxymethyl)-1,3-dimethyl-7H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(methoxymethyl)-1,3-dimethyl-7H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.