3-Hydroxy-1-methylxanthine
TL;DR: 3-Hydroxy-1-methylxanthine (CAS 14002-16-5) 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-hydroxy-1-methyl-7H-purine-2,6-dione
Also Known As: 3-Hydroxy-1-methylxanthine, Methanol, (dimethylamino)-, Xanthine, 3-hydroxy-1-methyl-, 3-hydroxy-1-methyl-7H-purine-2,6-dione, 3,7-Dihydro-3-hydroxy-1-methyl-1H-purine-2,6-dione
| Molecular Formula | C6H6N4O3 |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.04399 |
| Heavy Atoms | 13 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 14002-16-5 |
|---|---|
| SMILES | CN1C(=O)C2=C(N=CN2)N(C1=O)O |
| InChIKey | GCEOAXRRWCDSIV-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-1-methylxanthine (CAS 14002-16-5), with molecular formula C6H6N4O3 and molecular weight 182.04 g/mol. IUPAC: 3-hydroxy-1-methyl-7H-purine-2,6-dione.
Chemical Property Profile of 3-Hydroxy-1-methylxanthine
Property Insights of 3-Hydroxy-1-methylxanthine
The XLogP value of -0.5 indicates that 3-Hydroxy-1-methylxanthine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-1-methylxanthine. Following Lipinski's Rule of Five, 3-Hydroxy-1-methylxanthine 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-Hydroxy-1-methylxanthine?
The CAS number of 3-Hydroxy-1-methylxanthine is 14002-16-5.
What is the molecular formula of 3-Hydroxy-1-methylxanthine?
The molecular formula of 3-Hydroxy-1-methylxanthine is C6H6N4O3.
What is the molecular weight of 3-Hydroxy-1-methylxanthine?
The molecular weight of 3-Hydroxy-1-methylxanthine is 182.04 g/mol.
Where can I buy 3-Hydroxy-1-methylxanthine?
You can request a quote for 3-Hydroxy-1-methylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-1-methylxanthine?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-1-methylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.