CAS RN: 52468-60-7
Flunarizine
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6 package records6 with current stock2 grade groups
- Product code: starshine_CAS52468-60-7
- Purity/Analytical Methods: >99.0%
52468-60-7 / 1-[bis(4-fluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
Basic Information
CAS
52468-60-7
Multi CAS
Yes
Molecular Formula
C26F2H26N2
Molecular Weight
404.500000
Exact Mass
404.206405
InChI
InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+
InChIKey
SMANXXCATUTDDT-QPJJXVBHSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
118.13
TPSA
6.48
LogP / Solubility
WLOGP
5.39
MLOGP
4.76
XLogP3
6
Consensus LogP
5.38
Log S (ESOL)
-5.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.48
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
