Alepsal
TL;DR: Alepsal (CAS 8028-68-0) is a chemical compound with molecular formula C20H22N6O5 and molecular weight 426.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1,3,7-trimethylpurine-2,6-dione
Also Known As: Alepsal, Caffeine mixture with phenobarbital, Caffeine, Mixture With Phenobarbital, 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione; 1,3,7-trimethylpurine-2,6-dione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
| Molecular Formula | C20H22N6O5 |
|---|---|
| Molecular Weight | 426.17 g/mol |
| LogP | -0.3289 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 426.16516 |
| Heavy Atoms | 31 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 8028-68-0 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
| InChIKey | SCJZMQPFXSZCCV-UHFFFAOYSA-N |
Product Overview
Alepsal (CAS 8028-68-0), with molecular formula C20H22N6O5 and molecular weight 426.17 g/mol. IUPAC: 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of Alepsal
Property Insights of Alepsal
The XLogP value of -0.3289 indicates that Alepsal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Alepsal. Following Lipinski's Rule of Five, Alepsal has 2 hydrogen bond donor(s) and 6 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 Alepsal?
The CAS number of Alepsal is 8028-68-0.
What is the molecular formula of Alepsal?
The molecular formula of Alepsal is C20H22N6O5.
What is the molecular weight of Alepsal?
The molecular weight of Alepsal is 426.17 g/mol.
Where can I buy Alepsal?
You can request a quote for Alepsal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alepsal?
Yes, KEHONG BIO provides custom synthesis services for Alepsal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.