CAS RN: 1150654-74-2
Potassium 3-trifluoroborato-1-morpholinopropan-1-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250118 | 1g | In stock | Shanghai | Inquiry |
- Product code: SSC-014810
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 | Beijing | Inquiry |
1150654-74-2 / potassium trifluoro-(3-morpholin-4-yl-3-oxopropyl)boranuide
potassium trifluoro(3-morpholino-3-oxopropyl)borate | MFCD10700166 | POTASSIUM 3-TRIFLUOROBORATO-4-MOPHOLINOPROPAN-1-ONE
Basic Information
CAS
1150654-74-2
Multi CAS
No
Molecular Formula
C7H12BF3KNO2
Molecular Weight
249.080000
Exact Mass
249.055025
SMILES
[B-](CCC(=O)N1CCOCC1)(F)(F)F.[K+]
InChI
InChI=1S/C7H12BF3NO2.K/c9-8(10,11)2-1-7(13)12-3-5-14-6-4-12;/h1-6H2;/q-1;+1
InChIKey
XRBGFSOMOUCXJJ-UHFFFAOYSA-N
Synonyms
potassium trifluoro(3-morpholino-3-oxopropyl)borate
MFCD10700166
POTASSIUM 3-TRIFLUOROBORATO-4-MOPHOLINOPROPAN-1-ONE
potassium;trifluoro-(3-morpholin-4-yl-3-oxopropyl)boranuide
Potassium 3-trifluoroborato-1-morpholinopropan-1-one
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
45.9
TPSA
29.54
LogP / Solubility
WLOGP
-1.91
MLOGP
-1.68
XLogP3
-1.91
Consensus LogP
-1.83
Log S (ESOL)
0.02
Class (ESOL)
Highly soluble
Log S (Ali)
-0.22
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.05
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.6
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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