1,3-Diallyl-8-cyclohexylxanthine
TL;DR: 1,3-Diallyl-8-cyclohexylxanthine (CAS 165746-13-4) is a chemical compound with molecular formula C17H22N4O2 and molecular weight 314.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-cyclohexyl-1,3-bis(prop-2-enyl)-7H-purine-2,6-dione
Also Known As: DAX cyclohexylxanthine, 1,3-diallyl-8-cyclohexylxanthine, GTPL444, 8-Cyclohexyl-1,3-diallylxanthine, 8-cyclohexyl-1,3-diprop-2-enyl-7H-purine-2,6-dione
| Molecular Formula | C17H22N4O2 |
|---|---|
| Molecular Weight | 314.17 g/mol |
| LogP | 2.306 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.1743 |
| Heavy Atoms | 23 |
| Complexity | 849.8261 |
Chemical Identifiers
| CAS Number | 165746-13-4 |
|---|---|
| SMILES | C=CCN1C2=C(C(=O)N(C1=O)CC=C)NC(=N2)C3CCCCC3 |
Product Overview
1,3-Diallyl-8-cyclohexylxanthine (CAS 165746-13-4), with molecular formula C17H22N4O2 and molecular weight 314.17 g/mol. IUPAC: 8-cyclohexyl-1,3-bis(prop-2-enyl)-7H-purine-2,6-dione.
Chemical Property Profile of 1,3-Diallyl-8-cyclohexylxanthine
Property Insights of 1,3-Diallyl-8-cyclohexylxanthine
The XLogP value of 2.306 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diallyl-8-cyclohexylxanthine. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diallyl-8-cyclohexylxanthine. Following Lipinski's Rule of Five, 1,3-Diallyl-8-cyclohexylxanthine 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 1,3-Diallyl-8-cyclohexylxanthine?
The CAS number of 1,3-Diallyl-8-cyclohexylxanthine is 165746-13-4.
What is the molecular formula of 1,3-Diallyl-8-cyclohexylxanthine?
The molecular formula of 1,3-Diallyl-8-cyclohexylxanthine is C17H22N4O2.
What is the molecular weight of 1,3-Diallyl-8-cyclohexylxanthine?
The molecular weight of 1,3-Diallyl-8-cyclohexylxanthine is 314.17 g/mol.
Where can I buy 1,3-Diallyl-8-cyclohexylxanthine?
You can request a quote for 1,3-Diallyl-8-cyclohexylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diallyl-8-cyclohexylxanthine?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diallyl-8-cyclohexylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.