Asp 4058 HydrochlorideProduct ingredient for ASP-4058
- Name
- Asp 4058 Hydrochloride
- Drug Entry
- ASP-4058
ASP4058 has been used in trials studying Food Effect of ASP4058 and Pharmacokinetics of ASP4058.
- Accession Number
- DBSALT002085
- Structure
Structure for Asp 4058 Hydrochloride (DBSALT002085)
- Synonyms
- Not Available
- UNII
- 9Q305243EU
- CAS Number
- 952510-14-4
- Weight
- Average: 478.78
Monoisotopic: 478.0631224 - Chemical Formula
- C19H13ClF6N4O2
- InChI Key
- KRUYZACYZSOZCV-FVGYRXGTSA-N
- InChI
- InChI=1S/C19H12F6N4O2.ClH/c1-9(18(20,21)22)30-15-5-3-11(6-12(15)19(23,24)25)17-28-16(29-31-17)10-2-4-13-14(7-10)27-8-26-13;/h2-9H,1H3,(H,26,27);1H/t9-;/m0./s1
- IUPAC Name
- 5-{5-[3-(trifluoromethyl)-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl]-1,2,4-oxadiazol-3-yl}-1H-1,3-benzodiazole hydrochloride
- SMILES
- Cl.C[C@H](OC1=CC=C(C=C1C(F)(F)F)C1=NC(=NO1)C1=CC=C2NC=NC2=C1)C(F)(F)F
- External Links
- ChemSpider
- 52083360
- Predicted Properties
Property Value Source Water Solubility 0.0335 mg/mL ALOGPS logP 4.63 ALOGPS logP 5.54 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 11.51 Chemaxon pKa (Strongest Basic) 5.48 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 76.83 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 118.4 m3·mol-1 Chemaxon Polarizability 37.92 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon