8-(2-Cyclohexylethyl)-theophylline
TL;DR: 8-(2-Cyclohexylethyl)-theophylline (CAS 5426-90-4) is a chemical compound with molecular formula C15H22N4O2 and molecular weight 290.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-cyclohexylethyl)-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: Theophylline, 8-(2-cyclohexylethyl)-, 8-(beta-Cyclohexylethyl)theophylline, 8-(2-Cyclohexylethyl)-theophylline, acetaldehyde phenyl ethyl acetal, 8-(.beta.-Cyclohexylethyl)theophylline
| Molecular Formula | C15H22N4O2 |
|---|---|
| Molecular Weight | 290.17 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.1743 |
| Heavy Atoms | 21 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 5426-90-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCC3CCCCC3 |
| InChIKey | VKORYKNVGDXUOK-UHFFFAOYSA-N |
Product Overview
8-(2-Cyclohexylethyl)-theophylline (CAS 5426-90-4), with molecular formula C15H22N4O2 and molecular weight 290.17 g/mol. IUPAC: 8-(2-cyclohexylethyl)-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-(2-Cyclohexylethyl)-theophylline
Property Insights of 8-(2-Cyclohexylethyl)-theophylline
The XLogP value of 3.4 indicates that 8-(2-Cyclohexylethyl)-theophylline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(2-Cyclohexylethyl)-theophylline. Following Lipinski's Rule of Five, 8-(2-Cyclohexylethyl)-theophylline has 1 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 8-(2-Cyclohexylethyl)-theophylline?
The CAS number of 8-(2-Cyclohexylethyl)-theophylline is 5426-90-4.
What is the molecular formula of 8-(2-Cyclohexylethyl)-theophylline?
The molecular formula of 8-(2-Cyclohexylethyl)-theophylline is C15H22N4O2.
What is the molecular weight of 8-(2-Cyclohexylethyl)-theophylline?
The molecular weight of 8-(2-Cyclohexylethyl)-theophylline is 290.17 g/mol.
Where can I buy 8-(2-Cyclohexylethyl)-theophylline?
You can request a quote for 8-(2-Cyclohexylethyl)-theophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(2-Cyclohexylethyl)-theophylline?
Yes, KEHONG BIO provides custom synthesis services for 8-(2-Cyclohexylethyl)-theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.