1,3-Dimethyl-9-ethylxanthine
TL;DR: 1,3-Dimethyl-9-ethylxanthine (CAS 7464-99-5) 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.
9-ethyl-1,3-dimethylpurine-2,6-dione
Also Known As: 1,3-dimethyl-9-ethylxanthine, 9-ethyl-1,3-dimethylpurine-2,6-dione, 9-ethyl-1,3-dimethyl-purine-2,6-dione, 9-Ethyl-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
| Molecular Formula | C9H12N4O2 |
|---|---|
| Molecular Weight | 208.10 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.09602 |
| Heavy Atoms | 15 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 7464-99-5 |
|---|---|
| SMILES | CCN1C=NC2=C1N(C(=O)N(C2=O)C)C |
| InChIKey | VUTADOPURQMRPE-UHFFFAOYSA-N |
Product Overview
1,3-Dimethyl-9-ethylxanthine (CAS 7464-99-5), with molecular formula C9H12N4O2 and molecular weight 208.10 g/mol. IUPAC: 9-ethyl-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 1,3-Dimethyl-9-ethylxanthine
Property Insights of 1,3-Dimethyl-9-ethylxanthine
The XLogP value of -0.1 indicates that 1,3-Dimethyl-9-ethylxanthine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.4 Ų, 1,3-Dimethyl-9-ethylxanthine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-9-ethylxanthine has 0 hydrogen bond donor(s) and 3 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 1,3-Dimethyl-9-ethylxanthine?
The CAS number of 1,3-Dimethyl-9-ethylxanthine is 7464-99-5.
What is the molecular formula of 1,3-Dimethyl-9-ethylxanthine?
The molecular formula of 1,3-Dimethyl-9-ethylxanthine is C9H12N4O2.
What is the molecular weight of 1,3-Dimethyl-9-ethylxanthine?
The molecular weight of 1,3-Dimethyl-9-ethylxanthine is 208.10 g/mol.
Where can I buy 1,3-Dimethyl-9-ethylxanthine?
You can request a quote for 1,3-Dimethyl-9-ethylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-9-ethylxanthine?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-9-ethylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.