CAS RN: 1097890-24-8
Potassium (Z)-2,3-dibromoprop-1-enyltrifluoroborate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251219 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1097890-24-8
- Purity/Analytical Methods: >99.0%
1097890-24-8 / potassium [(Z)-2,3-dibromoprop-1-enyl]-trifluoroboranuide
Basic Information
CAS
1097890-24-8
Multi CAS
Yes
Molecular Formula
C3H3BBr2F3K
Molecular Weight
305.770000
Exact Mass
305.826320
SMILES
[B-](/C=C(/CBr)\Br)(F)(F)F.[K+]
InChI
InChI=1S/C3H3BBr2F3.K/c5-2-3(6)1-4(7,8)9;/h1H,2H2;/q-1;+1/b3-1-;
InChIKey
IUXJEXQJWSDYEK-SPNQZIMRSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
39.88
TPSA
0.0000
LogP / Solubility
WLOGP
0.05
MLOGP
0.06
XLogP3
0.05
Consensus LogP
0.05
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
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)
-4.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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