CYCLOHEXYLLINE
TL;DR: CYCLOHEXYLLINE (CAS 132560-19-1) is a chemical compound with molecular formula C14H20N4O4 and molecular weight 308.14847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(1,3-dioxolan-2-ylmethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
Also Known As: CYCLOHEXYLLINE, Xanthine, 7-(1,3-dioxolan-2-ylmethyl)-1-methyl-3-isobutyl-, 1H-Purine-2,6-dione, 3,7-dihydro-7-(1,3-dioxolan-2-ylmethyl)-1-methyl-3-(2-methylpropyl)-, 1-Methyl-3-isobutyl-7-(1,3-dioxolan-2-ylmethyl)xanthine, 7-(1,3-dioxolan-2-ylmethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
Technical Specifications
| Molecular Formula | C14H20N4O4 |
| Molecular Weight | 308.14847 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.14847 Da |
| Heavy Atoms | 22 |
| Complexity | 452.0 |
| SMILES | CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3 |
| InChIKey | RAPXINMKJXAUTR-UHFFFAOYSA-N |
Chemical Property Profile of CYCLOHEXYLLINE
Property Insights of CYCLOHEXYLLINE
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CYCLOHEXYLLINE. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for CYCLOHEXYLLINE. Following Lipinski's Rule of Five, CYCLOHEXYLLINE has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of CYCLOHEXYLLINE?
The CAS number of CYCLOHEXYLLINE is 132560-19-1.
What is the molecular formula of CYCLOHEXYLLINE?
The molecular formula of CYCLOHEXYLLINE is C14H20N4O4.
What is the molecular weight of CYCLOHEXYLLINE?
The molecular weight of CYCLOHEXYLLINE is 308.14847 g/mol.
Where can I buy CYCLOHEXYLLINE?
You can request a quote for CYCLOHEXYLLINE directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CYCLOHEXYLLINE?
Yes, CoreyChem provides custom synthesis services for CYCLOHEXYLLINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.