Xanthine, 3-(2-hydroxyethyl)-1-methyl-
TL;DR: Xanthine, 3-(2-hydroxyethyl)-1-methyl- (CAS 5421-90-9) is a chemical compound with molecular formula C8H10N4O3 and molecular weight 210.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxyethyl)-1-methyl-7H-purine-2,6-dione
Also Known As: Xanthine, 3-(2-hydroxyethyl)-1-methyl-, 3-(2-Hydroxyethyl)-1-methylxanthine, 4-26-00-02355 (Beilstein Handbook Reference), 3-(2-hydroxyethyl)-1-methyl-7H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-3-(2-hydroxyethyl)-1-methyl-
| Molecular Formula | C8H10N4O3 |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.07529 |
| Heavy Atoms | 15 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 5421-90-9 |
|---|---|
| SMILES | CN1C(=O)C2=C(N=CN2)N(C1=O)CCO |
| InChIKey | XXSKBKUNDLWMML-UHFFFAOYSA-N |
Product Overview
Xanthine, 3-(2-hydroxyethyl)-1-methyl- (CAS 5421-90-9), with molecular formula C8H10N4O3 and molecular weight 210.08 g/mol. IUPAC: 3-(2-hydroxyethyl)-1-methyl-7H-purine-2,6-dione.
Chemical Property Profile of Xanthine, 3-(2-hydroxyethyl)-1-methyl-
Property Insights of Xanthine, 3-(2-hydroxyethyl)-1-methyl-
The XLogP value of -0.6 indicates that Xanthine, 3-(2-hydroxyethyl)-1-methyl- 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 Xanthine, 3-(2-hydroxyethyl)-1-methyl-. Following Lipinski's Rule of Five, Xanthine, 3-(2-hydroxyethyl)-1-methyl- 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 Xanthine, 3-(2-hydroxyethyl)-1-methyl-?
The CAS number of Xanthine, 3-(2-hydroxyethyl)-1-methyl- is 5421-90-9.
What is the molecular formula of Xanthine, 3-(2-hydroxyethyl)-1-methyl-?
The molecular formula of Xanthine, 3-(2-hydroxyethyl)-1-methyl- is C8H10N4O3.
What is the molecular weight of Xanthine, 3-(2-hydroxyethyl)-1-methyl-?
The molecular weight of Xanthine, 3-(2-hydroxyethyl)-1-methyl- is 210.08 g/mol.
Where can I buy Xanthine, 3-(2-hydroxyethyl)-1-methyl-?
You can request a quote for Xanthine, 3-(2-hydroxyethyl)-1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthine, 3-(2-hydroxyethyl)-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Xanthine, 3-(2-hydroxyethyl)-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.