![CAS 2095504-46-2 potassium (3-(tert-butoxycarbonyl)-3-azabicyclo[4.1.0]heptan-6-yl)trifluoroborate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2095504-46-2.png)
CAS RN: 2095504-46-2
potassium (3-(tert-butoxycarbonyl)-3-azabicyclo[4.1.0]heptan-6-yl)trifluoroborate
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.20250513 | 100mg / 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-099366
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: 0.25g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
2095504-46-2 / potassium trifluoro-[3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[4.1.0]heptan-6-yl]boranuide
Basic Information
CAS
2095504-46-2
Multi CAS
No
Molecular Formula
C11H18BF3KNO2
Molecular Weight
303.170000
Exact Mass
303.101975
SMILES
[B-](C12CCN(CC1C2)C(=O)OC(C)(C)C)(F)(F)F.[K+]
InChI
InChI=1S/C11H18BF3NO2.K/c1-10(2,3)18-9(17)16-5-4-11(12(13,14)15)6-8(11)7-16;/h8H,4-7H2,1-3H3;/q-1;+1
InChIKey
DDXOCWAAULENJK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
62.3
TPSA
29.54
LogP / Solubility
WLOGP
0.24
MLOGP
0.22
XLogP3
0.24
Consensus LogP
0.23
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.95
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)
-4.4
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
2.5
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