3-Methoxyxanthine
TL;DR: 3-Methoxyxanthine (CAS 35364-85-3) is a chemical compound with molecular formula C6H6N4O3 and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-7H-purine-2,6-dione
Also Known As: 3-Methoxyxanthine, 3-methoxy-7H-purine-2,6-dione, 3-methoxy-3,7-dihydro-1h-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-3-methoxy-, 1H-Purine-2,6-dione,3,9-dihydro-3-methoxy-
| Molecular Formula | C6H6N4O3 |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.04399 |
| Heavy Atoms | 13 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 35364-85-3 |
|---|---|
| SMILES | CON1C2=C(C(=O)NC1=O)NC=N2 |
| InChIKey | MTDDRMZQPQLXPK-UHFFFAOYSA-N |
Product Overview
3-Methoxyxanthine (CAS 35364-85-3), with molecular formula C6H6N4O3 and molecular weight 182.04 g/mol. IUPAC: 3-methoxy-7H-purine-2,6-dione.
Chemical Property Profile of 3-Methoxyxanthine
Property Insights of 3-Methoxyxanthine
The XLogP value of -0.7 indicates that 3-Methoxyxanthine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxyxanthine. Following Lipinski's Rule of Five, 3-Methoxyxanthine 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 3-Methoxyxanthine?
The CAS number of 3-Methoxyxanthine is 35364-85-3.
What is the molecular formula of 3-Methoxyxanthine?
The molecular formula of 3-Methoxyxanthine is C6H6N4O3.
What is the molecular weight of 3-Methoxyxanthine?
The molecular weight of 3-Methoxyxanthine is 182.04 g/mol.
Where can I buy 3-Methoxyxanthine?
You can request a quote for 3-Methoxyxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxyxanthine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxyxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.