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CAS 1023357-63-2 Potassium 3-trifluoroboratopropionate methyl ester molecular structure lightbox
CAS RN: 1023357-63-2

Potassium 3-trifluoroboratopropionate methyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260630 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-003617
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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 1023357-63-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1023357-63-2 / potassium trifluoro-(3-methoxy-3-oxopropyl)boranuide

POTASSIUM TRIFLUORO(3-METHOXY-3-OXOPROPYL)BORANUIDE | RefChem:868141 | 862-512-8

Standard CAS: 1023357-63-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1023357-63-2
Multi CAS
Yes
Molecular Formula
C4H7BF3KO2
Molecular Weight
194.000000
Exact Mass
194.012826
SMILES
[B-](CCC(=O)OC)(F)(F)F.[K+]
InChI
InChI=1S/C4H7BF3O2.K/c1-10-4(9)2-3-5(6,7)8;/h2-3H2,1H3;/q-1;+1
InChIKey
NPWJZDRICBCMOK-UHFFFAOYSA-N
Synonyms
POTASSIUM TRIFLUORO(3-METHOXY-3-OXOPROPYL)BORANUIDE RefChem:868141 862-512-8 POTASSIUM 3-TRIFLUOROBORATOPROPIONATE METHYL ESTER Potassium trifluoro(3-methoxy-3-oxopropyl)borate

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
30.52
TPSA
26.3

LogP / Solubility

WLOGP
-1.6
MLOGP
-1.41
XLogP3
-1.6
Consensus LogP
-1.54
Log S (ESOL)
0.16
Class (ESOL)
Highly soluble
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.05
Class (SILICOS-IT)
Highly 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)
-5.04

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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