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CAS 43064-96-6 Tetrabutylammonium cyanoborohydride molecular structure lightbox
CAS RN: 43064-96-6

Tetrabutylammonium cyanoborohydride

  • Product code: SSC-151365
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 43064-96-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

43064-96-6 / cyanoboranuide;tetrabutylazanium

Standard CAS: 43064-96-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
43064-96-6
Multi CAS
Yes
Molecular Formula
BC17H39N2
Molecular Weight
282.300000
Exact Mass
282.320629
InChI
InChI=1S/C16H36N.CBN/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1-3/h5-16H2,1-4H3;/q+1;-1
InChIKey
WBJUINJNOBNWHN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.94
Rotatable bonds
12
H-bond acceptors
1
Molar refractivity
94.91
TPSA
23.79

LogP / Solubility

WLOGP
3.84
MLOGP
3.39
XLogP3
3.84
Consensus LogP
3.69
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.12
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72

Drug-likeness / Medicinal Chemistry

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

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