CAS RN: 1440548-66-2
PotassiuM (E)-3-(benzyloxy)prop-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.20250523 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1440548-66-2
- Purity/Analytical Methods: >99.0%
1440548-66-2 / potassium trifluoro-[(E)-3-phenylmethoxyprop-1-enyl]boranuide
Basic Information
CAS
1440548-66-2
Multi CAS
No
Molecular Formula
C10H11BF3KO
Molecular Weight
254.100000
Exact Mass
254.049211
SMILES
[B-](/C=C/COCC1=CC=CC=C1)(F)(F)F.[K+]
InChI
InChI=1S/C10H11BF3O.K/c12-11(13,14)7-4-8-15-9-10-5-2-1-3-6-10;/h1-7H,8-9H2;/q-1;+1/b7-4+;
InChIKey
BRIUOQSJMWLSBJ-KQGICBIGSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
54.32
TPSA
9.23
LogP / Solubility
WLOGP
0.15
MLOGP
0.14
XLogP3
0.15
Consensus LogP
0.15
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-4.16
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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