CAS RN: 1314957-11-3
Potassium 4-(4-morpholinylcarbonyl)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.20250104 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1314957-11-3
- Purity/Analytical Methods: >99.0%
1314957-11-3 / potassium trifluoro-[4-(morpholine-4-carbonyl)phenyl]boranuide
Basic Information
CAS
1314957-11-3
Multi CAS
No
Molecular Formula
C11H12BF3KNO2
Molecular Weight
297.120000
Exact Mass
297.055025
SMILES
[B-](C1=CC=C(C=C1)C(=O)N2CCOCC2)(F)(F)F.[K+]
InChI
InChI=1S/C11H12BF3NO2.K/c13-12(14,15)10-3-1-9(2-4-10)11(17)16-5-7-18-8-6-16;/h1-4H,5-8H2;/q-1;+1
InChIKey
MRPGRGIUSTVBMG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
61.88
TPSA
29.54
LogP / Solubility
WLOGP
-1.78
MLOGP
-1.56
XLogP3
-1.78
Consensus LogP
-1.71
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.35
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)
-5.8
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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