Hymenidin

Base Information

• Chemical Name: Hymenidin
• CAS No.: 107019-95-4
• Molecular Formula: C11H12 Br N5 O
• Molecular Weight: 310.15
• UNII: 3P6464ZQCD
• Nikkaji Number: J510.069K
• Wikidata: Q27257846
• Pharos Ligand ID: NU9FH5VLHNNR
• Metabolomics Workbench ID: 175800
• ChEMBL ID: CHEMBL3621636
• Mol file: 107019-95-4.mol

Synonyms:hymenidin

Chemical Property of Hymenidin

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 13.76±0.50(Predicted)
• Flash Point: °C
• PSA: 99.59000
• Density: 1.69g/cm³
• LogP: 2.49780
• XLogP3: 1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 309.02252
• Heavy Atom Count: 18
• Complexity: 325

Purity/Quality:

98%Min ^*data from raw suppliers

Hymenidin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC=C1Br)C(=O)NCC=CC2=CN=C(N2)N
• Isomeric SMILES: C1=C(NC=C1Br)C(=O)NC/C=C/C2=CN=C(N2)N
• Uses: Hymenidin is an antagonist of serotonergic receptors and inhibitor of CDK5/p25 and GSK-3β.

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