CAS RN: 1190095-06-7
Potassium 4-((morpholino)methyl)-phenyltrifluoroborate
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.20260625 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1190095-06-7
- Purity/Analytical Methods: >99.0%
1190095-06-7 / potassium trifluoro-[4-(morpholin-4-ylmethyl)phenyl]boranuide
Potassium 4-((morpholino)methyl) phenyltrifluoroborate | RefChem:867612 | 806-581-4
Basic Information
CAS
1190095-06-7
Multi CAS
No
Molecular Formula
C11H14BF3KNO
Molecular Weight
283.140000
Exact Mass
283.075760
SMILES
[B-](C1=CC=C(C=C1)CN2CCOCC2)(F)(F)F.[K+]
InChI
InChI=1S/C11H14BF3NO.K/c13-12(14,15)11-3-1-10(2-4-11)9-16-5-7-17-8-6-16;/h1-4H,5-9H2;/q-1;+1
InChIKey
HLIJBOGELSTIEW-UHFFFAOYSA-N
Synonyms
Potassium 4-((morpholino)methyl) phenyltrifluoroborate
RefChem:867612
806-581-4
MFCD20527095
Potassium 4-((morpholino)methyl)-phenyltrifluoroborate
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
61.25
TPSA
12.47
LogP / Solubility
WLOGP
-1.42
MLOGP
-1.24
XLogP3
-1.42
Consensus LogP
-1.36
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.68
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)
-5.46
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
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