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CAS 23868-34-0 Tetrabutylammonium Bifluoride molecular structure lightbox
CAS RN: 23868-34-0

Tetrabutylammonium Bifluoride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260108 250mg Out of stock Inquiry
  • Product code: ICTT1295
  • Purity/Analytical Methods: >95.0%(T)
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23868-34-0 / tetrabutylazanium;fluoride;hydrofluoride

Standard CAS: 23868-34-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23868-34-0
Multi CAS
No
Molecular Formula
C16H37F2N
Molecular Weight
281.470000
Exact Mass
281.289407
SMILES
CCCC[N+](CCCC)(CCCC)CCCC.F.[F-]
InChI
InChI=1S/C16H36N.2FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;2*1H/q+1;;/p-1
InChIKey
ZHBDKVWQJKYIFF-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
81.86
TPSA
0.0000

LogP / Solubility

WLOGP
2.16
MLOGP
1.91
XLogP3
2.16
Consensus LogP
2.08
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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