CAS RN: 1027642-31-4
Potassium cyclopentoxymethyltrifluoroborate
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-004113
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: >95%
- 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 |
|---|---|---|---|---|
| 1g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
1027642-31-4 / potassium cyclopentyloxymethyl(trifluoro)boranuide
POTASSIUM CYCLOPENTOXYMETHYLTRIFLUOROBORATE | potassium,cyclopentyloxymethyl(trifluoro)boranuide | MFCD11505926
Basic Information
CAS
1027642-31-4
Multi CAS
Yes
Molecular Formula
C6H11BF3KO
Molecular Weight
206.060000
Exact Mass
206.049211
SMILES
[B-](COC1CCCC1)(F)(F)F.[K+]
InChI
InChI=1S/C6H11BF3O.K/c8-7(9,10)5-11-6-3-1-2-4-6;/h6H,1-5H2;/q-1;+1
InChIKey
LMFWCYBUQMUUNT-UHFFFAOYSA-N
Synonyms
POTASSIUM CYCLOPENTOXYMETHYLTRIFLUOROBORATE
potassium,cyclopentyloxymethyl(trifluoro)boranuide
MFCD11505926
Potassium ((cyclopentyloxy)methyl)trifluoroborate
potassium;cyclopentyloxymethyl(trifluoro)boranuide
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
37.29
TPSA
9.23
LogP / Solubility
WLOGP
-0.66
MLOGP
-0.58
XLogP3
-0.66
Consensus LogP
-0.63
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.81
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)
-4.45
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
1.5
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