Xanthine, 1,3,8,8-tetramethyl-
TL;DR: Xanthine, 1,3,8,8-tetramethyl- (CAS 715-59-3) is a chemical compound with molecular formula C9H12N4O2 and molecular weight 208.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,8,8-tetramethylpurine-2,6-dione
Also Known As: 1,3,8,8-Tetramethylxanthine, Xanthine, 1,3,8,8-tetramethyl-, 8,8-Dimethyl-8H-theophyllin, GD 054, KST-1B8290
| Molecular Formula | C9H12N4O2 |
|---|---|
| Molecular Weight | 208.10 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.09602 |
| Heavy Atoms | 15 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 715-59-3 |
|---|---|
| SMILES | CC1(N=C2C(=N1)N(C(=O)N(C2=O)C)C)C |
| InChIKey | JMTLMQWWWBRZLJ-UHFFFAOYSA-N |
Product Overview
Xanthine, 1,3,8,8-tetramethyl- (CAS 715-59-3), with molecular formula C9H12N4O2 and molecular weight 208.10 g/mol. IUPAC: 1,3,8,8-tetramethylpurine-2,6-dione.
Chemical Property Profile of Xanthine, 1,3,8,8-tetramethyl-
Property Insights of Xanthine, 1,3,8,8-tetramethyl-
The XLogP value of -0.2 indicates that Xanthine, 1,3,8,8-tetramethyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Xanthine, 1,3,8,8-tetramethyl-. Following Lipinski's Rule of Five, Xanthine, 1,3,8,8-tetramethyl- 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 Xanthine, 1,3,8,8-tetramethyl-?
The CAS number of Xanthine, 1,3,8,8-tetramethyl- is 715-59-3.
What is the molecular formula of Xanthine, 1,3,8,8-tetramethyl-?
The molecular formula of Xanthine, 1,3,8,8-tetramethyl- is C9H12N4O2.
What is the molecular weight of Xanthine, 1,3,8,8-tetramethyl-?
The molecular weight of Xanthine, 1,3,8,8-tetramethyl- is 208.10 g/mol.
Where can I buy Xanthine, 1,3,8,8-tetramethyl-?
You can request a quote for Xanthine, 1,3,8,8-tetramethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthine, 1,3,8,8-tetramethyl-?
Yes, KEHONG BIO provides custom synthesis services for Xanthine, 1,3,8,8-tetramethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.