Cytallene
TL;DR: Cytallene (CAS 114987-19-8) is a chemical compound with molecular formula C8H9N3O2 and molecular weight 179.06947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-1-(4-hydroxybuta-1,2-dienyl)pyrimidin-2-one
Also Known As: Cytallene, (+)-Cytallene, (-)-Cytallene, (+/-)-Cytallene, 1-(4'-Hydroxy-1',2'-butadienyl)cytosine
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9N3O2 |
| Molecular Weight | 179.06947 g/mol |
| XLogP | -2.0 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.06947 Da |
| Heavy Atoms | 13 |
| Complexity | 324.0 |
| SMILES | C1=CN(C(=O)N=C1N)C=C=CCO |
| InChIKey | WBOPPXMLTYJKEO-UHFFFAOYSA-N |
Chemical Property Profile of Cytallene
Property Insights of Cytallene
The XLogP value of -2.0 indicates that Cytallene is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Cytallene. Following Lipinski's Rule of Five, Cytallene has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cytallene?
The CAS number of Cytallene is 114987-19-8.
What is the molecular formula of Cytallene?
The molecular formula of Cytallene is C8H9N3O2.
What is the molecular weight of Cytallene?
The molecular weight of Cytallene is 179.06947 g/mol.
Where can I buy Cytallene?
You can request a quote for Cytallene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cytallene?
Yes, CoreyChem provides custom synthesis services for Cytallene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.