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CAS 1230063-53-2 Potassium (Z)-2-bromo-1-hex-1-enyltrifluoroborate molecular structure lightbox
CAS RN: 1230063-53-2

Potassium (Z)-2-bromo-1-hex-1-enyltrifluoroborate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250821 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1230063-53-2
  • Purity/Analytical Methods: >99.0%
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1230063-53-2 / potassium [(Z)-2-bromohex-1-enyl]-trifluoroboranuide

Standard CAS: 1230063-53-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1230063-53-2
Multi CAS
No
Molecular Formula
C6H10BBrF3K
Molecular Weight
268.950000
Exact Mass
267.964810
SMILES
[B-](/C=C(/CCCC)\Br)(F)(F)F.[K+]
InChI
InChI=1S/C6H10BBrF3.K/c1-2-3-4-6(8)5-7(9,10)11;/h5H,2-4H2,1H3;/q-1;+1/b6-5-;
InChIKey
CNABMQRRYZKHSY-YSMBQZINSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
45.61
TPSA
0.0000

LogP / Solubility

WLOGP
0.85
MLOGP
0.75
XLogP3
0.85
Consensus LogP
0.82
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.76

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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