Cytallene
TL;DR: Cytallene (CAS 114987-19-8) is a chemical compound with molecular formula C8H9N3O2 and molecular weight 179.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C8H9N3O2 |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.06947 |
| Heavy Atoms | 13 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 114987-19-8 |
|---|---|
| SMILES | C1=CN(C(=O)N=C1N)C=C=CCO |
| InChIKey | WBOPPXMLTYJKEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cytallene (CAS 114987-19-8), with molecular formula C8H9N3O2 and molecular weight 179.07 g/mol. IUPAC: 4-amino-1-(4-hydroxybuta-1,2-dienyl)pyrimidin-2-one.
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
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 179.07 g/mol.
Where can I buy Cytallene?
You can request a quote for Cytallene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cytallene?
Yes, KEHONG BIO provides custom synthesis services for Cytallene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.