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CAS 1359164-11-6 2-Fluoro-4′-[[4-(4-pyridinylMethyl)-1-piperazinyl]Methyl]-α,α-bis(trifluoroMethyl)-[1,1′-biphenyl]-4-Methanol molecular structure lightbox
CAS RN: 1359164-11-6

2-Fluoro-4′-[[4-(4-pyridinylMethyl)-1-piperazinyl]Methyl]-α,α-bis(trifluoroMethyl)-[1,1′-biphenyl]-4-Methanol

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260402 100mg In stock Shanghai Inquiry
Batchno.20251022 10mg In stock Shanghai Inquiry
Batchno.20250709 1mg In stock Shanghai Inquiry
Batchno.20250510 250mg In stock Shanghai Inquiry
Batchno.20251022 25mg In stock Shanghai Inquiry
Batchno.20251123 50mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS1359164-11-6
  • Purity/Analytical Methods: >99.0%
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1359164-11-6 / 1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol

Standard CAS: 1359164-11-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1359164-11-6
Multi CAS
No
Molecular Formula
C26H24F7N3O
Molecular Weight
527.500000
Exact Mass
527.180760
SMILES
C1CN(CCN1CC2=CC=C(C=C2)C3=C(C=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)F)CC4=CC=NC=C4
InChI
InChI=1S/C26H24F7N3O/c27-23-15-21(24(37,25(28,29)30)26(31,32)33)5-6-22(23)20-3-1-18(2-4-20)16-35-11-13-36(14-12-35)17-19-7-9-34-10-8-19/h1-10,15,37H,11-14,16-17H2
InChIKey
KVHKWAZUPPBMLL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
122.63
TPSA
39.6

LogP / Solubility

WLOGP
5.52
MLOGP
4.89
XLogP3
4.9
Consensus LogP
5.1
Log S (ESOL)
-6.55
Class (ESOL)
Insoluble
Log S (Ali)
-7.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.39
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.02

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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