3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione
TL;DR: 3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione (CAS 569-34-6) 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-methoxy-1,3,7-trimethylpurine-2,6-dione
Also Known As: 8-Methoxycaffeine, Methoxycaffeine, 8-Methoxycoffein, CAFFEINE, 8-METHOXY-, starbld0008883
| Molecular Formula | C9H12N4O3 |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.09094 |
| Heavy Atoms | 16 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 569-34-6 |
|---|---|
| SMILES | CN1C2=C(N=C1OC)N(C(=O)N(C2=O)C)C |
| InChIKey | ATPSJRIIRXKPER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione (CAS 569-34-6), with molecular formula C9H12N4O3 and molecular weight 224.09 g/mol. IUPAC: 8-methoxy-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione
Property Insights of 3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione has 0 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 3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione?
The CAS number of 3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione is 569-34-6.
What is the molecular formula of 3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione?
The molecular formula of 3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione is C9H12N4O3.
What is the molecular weight of 3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione?
The molecular weight of 3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione is 224.09 g/mol.
Where can I buy 3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione?
You can request a quote for 3,7-Dihydro-8-methoxy-1,3,7-trimethyl-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 3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dihydro-8-methoxy-1,3,7-trimethyl-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.