Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.27 5.71 -4.95 0 1 0 17 150.221 0

Vendor Notes

Note Type Comments Provided By
mp 125 MolMall (formerly Molecular Diversity Preservation International)
MP 257°(subl.) Matrix Scientific
Mp [°C] 282 - 286 Acros Organics
mp 286 MolMall (formerly Molecular Diversity Preservation International)
ALOGPS_SOLUBILITY 3.35e-01 g/l DrugBank-experimental
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Purity 99.0% APIChem
Melting_Point ca 257? subl. Alfa-Aesar
Melting_Point ca 257° subl. Alfa-Aesar
Patent Database Links EP1081150; EP1331216; WO2005034857 ChEBI
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )