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CAS 1314538-55-0 Potassium [[(tert-Butoxycarbonyl)amino]methyl]trifluoroborate molecular structure lightbox
CAS RN: 1314538-55-0

Potassium [[(tert-Butoxycarbonyl)amino]methyl]trifluoroborate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251117 50mg / 250mg / 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Hebei 5-7 business days Inquiry
  • Product code: SSC-038357
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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, 5g, 10g, 0.25g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 1314538-55-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
10g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 3 In Stock Shanghai Inquiry
25g >95% 2 In Stock Beijing Inquiry
100g >95% 0 Out of Stock Shanghai Inquiry

1314538-55-0 / potassium trifluoro-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]boranuide

Standard CAS: 1314538-55-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1314538-55-0
Multi CAS
No
Molecular Formula
C6H12BF3KNO2
Molecular Weight
237.070000
Exact Mass
237.055025
SMILES
[B-](CNC(=O)OC(C)(C)C)(F)(F)F.[K+]
InChI
InChI=1S/C6H12BF3NO2.K/c1-6(2,3)13-5(12)11-4-7(8,9)10;/h4H2,1-3H3,(H,11,12);/q-1;+1
InChIKey
WSOSBCPWIQUNLD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.31
TPSA
38.33

LogP / Solubility

WLOGP
-1.1
MLOGP
-0.96
XLogP3
-1.1
Consensus LogP
-1.05
Log S (ESOL)
-0.49
Class (ESOL)
Very soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
Class (SILICOS-IT)
Very 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)
-4.95

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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