![CAS 1557201-12-3 Potassium Bicyclo[2.2.1]heptan-2-yltrifluoroborate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1557201-12-3.gif)
CAS RN: 1557201-12-3
Potassium Bicyclo[2.2.1]heptan-2-yltrifluoroborate
- Product code: SSC-064965
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: 0.1g, 5g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1557201-12-3 / potassium 2-bicyclo[2.2.1]heptanyl(trifluoro)boranuide
Basic Information
CAS
1557201-12-3
Multi CAS
No
Molecular Formula
C7H11BF3K
Molecular Weight
202.070000
Exact Mass
202.054297
SMILES
[B-](C1CC2CCC1C2)(F)(F)F.[K+]
InChI
InChI=1S/C7H11BF3.K/c9-8(10,11)7-4-5-1-2-6(7)3-5;/h5-7H,1-4H2;/q-1;+1
InChIKey
HCXJGPZWZVXAEF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
38.28
TPSA
0.0000
LogP / Solubility
WLOGP
0.03
MLOGP
0.02
XLogP3
0.03
Consensus LogP
0.03
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
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)
-3.93
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
5
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