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CAS 936329-97-4 Potassium (4-tert-butoxycarbonylpiperazin-1-yl)methyltrifluoroborate molecular structure lightbox
CAS RN: 936329-97-4

Potassium (4-tert-butoxycarbonylpiperazin-1-yl)methyltrifluoroborate

  • Product code: SSC-207968
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 5g, 10g, 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 936329-97-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 2 In Stock Hong Kong Inquiry
0.25g ≥98% 1 In Stock Beijing Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry
10g ≥98% 0 Out of Stock Shenzhen Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry

936329-97-4 / potassium trifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]boranuide

Standard CAS: 936329-97-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
936329-97-4
Multi CAS
No
Molecular Formula
BC10F3H19KN2O2
Molecular Weight
306.180000
Exact Mass
306.112874
InChI
InChI=1S/C10H19BF3N2O2.K/c1-10(2,3)18-9(17)16-6-4-15(5-7-16)8-11(12,13)14;/h4-8H2,1-3H3;/q-1;+1
InChIKey
WVNSYJFWKWTVKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
63.33
TPSA
32.78

LogP / Solubility

WLOGP
-1.07
MLOGP
-0.93
XLogP3
-1.07
Consensus LogP
-1.02
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.35

Drug-likeness / Medicinal Chemistry

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

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