CAS RN: 912350-00-6
Potassium4-iodophenyltrifluoroborate
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS912350-00-6
- Purity/Analytical Methods: >99.0%
912350-00-6 / potassium trifluoro-(4-iodophenyl)boranuide
Basic Information
CAS
912350-00-6
Multi CAS
No
Molecular Formula
BC6F3H4IK
Molecular Weight
309.910000
Exact Mass
309.903990
InChI
InChI=1S/C6H4BF3I.K/c8-7(9,10)5-1-3-6(11)4-2-5;/h1-4H;/q-1;+1
InChIKey
WTXNSBOVCAXUGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
47.87
TPSA
0.0000
LogP / Solubility
WLOGP
-0.65
MLOGP
-0.56
XLogP3
-0.65
Consensus LogP
-0.62
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
Class (SILICOS-IT)
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)
-5.07
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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