3-Hydroxyxanthine hydrate
TL;DR: 3-Hydroxyxanthine hydrate (CAS 64038-49-9) is a chemical compound with molecular formula C5H6N4O4 and molecular weight 186.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-7H-purine-2,6-dione;hydrate
Also Known As: N-Hydroxyxanthine, 3-Hydroxyxanthine hydrate, Xanthine, 3-hydroxy-, hydrate, ethyl(2-chloroethyl)carbamate, 3-hydroxy-7H-purine-2,6-dione hydrate
| Molecular Formula | C5H6N4O4 |
|---|---|
| Molecular Weight | 186.04 g/mol |
| LogP | -2.17 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.03891 |
| Heavy Atoms | 13 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 64038-49-9 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=O)NC(=O)N2O.O |
| InChIKey | BGQLASDHWPLTDZ-UHFFFAOYSA-N |
Product Overview
3-Hydroxyxanthine hydrate (CAS 64038-49-9), with molecular formula C5H6N4O4 and molecular weight 186.04 g/mol. IUPAC: 3-hydroxy-7H-purine-2,6-dione;hydrate.
Chemical Property Profile of 3-Hydroxyxanthine hydrate
Property Insights of 3-Hydroxyxanthine hydrate
The XLogP value of -2.17 indicates that 3-Hydroxyxanthine hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxyxanthine hydrate. Following Lipinski's Rule of Five, 3-Hydroxyxanthine hydrate has 4 hydrogen bond donor(s) and 5 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-Hydroxyxanthine hydrate?
The CAS number of 3-Hydroxyxanthine hydrate is 64038-49-9.
What is the molecular formula of 3-Hydroxyxanthine hydrate?
The molecular formula of 3-Hydroxyxanthine hydrate is C5H6N4O4.
What is the molecular weight of 3-Hydroxyxanthine hydrate?
The molecular weight of 3-Hydroxyxanthine hydrate is 186.04 g/mol.
Where can I buy 3-Hydroxyxanthine hydrate?
You can request a quote for 3-Hydroxyxanthine hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxyxanthine hydrate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxyxanthine hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.