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CAS 1134643-87-0 Potassium 2-methyl-1-propenyltrifluoroborate molecular structure lightbox
CAS RN: 1134643-87-0

Potassium 2-methyl-1-propenyltrifluoroborate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250207 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-013582
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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: ＞97%
  • 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 1134643-87-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1134643-87-0 / potassium trifluoro(2-methylprop-1-enyl)boranuide

Potassium trifluoro(2-methylprop-1-en-1-yl)borate | Potassium 2-methyl-1-propenyltrifluoroborate | MFCD29074005

Standard CAS: 1134643-87-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1134643-87-0
Multi CAS
Yes
Molecular Formula
C4H7BF3K
Molecular Weight
162.010000
Exact Mass
162.022996
SMILES
[B-](C=C(C)C)(F)(F)F.[K+]
InChI
InChI=1S/C4H7BF3.K/c1-4(2)3-5(6,7)8;/h3H,1-2H3;/q-1;+1
InChIKey
FUGVRKYJCWRXAZ-UHFFFAOYSA-N
Synonyms
Potassium trifluoro(2-methylprop-1-en-1-yl)borate Potassium 2-methyl-1-propenyltrifluoroborate MFCD29074005 POTASSIUM TRIFLUORO(2-METHYLPROP-1-EN-1-YL)BORANUIDE SCHEMBL19915252

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
28.51
TPSA
0.0000

LogP / Solubility

WLOGP
-0.66
MLOGP
-0.58
XLogP3
-0.66
Consensus LogP
-0.63
Log S (ESOL)
-0.36
Class (ESOL)
Very soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.29
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.17

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

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