CAS RN: 5971-93-7
RUBIDIUM TETRAPHENYLBORATE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS5971-93-7
- Purity/Analytical Methods: >99.0%
5971-93-7 / rubidium(1+);tetraphenylboranuide
Basic Information
CAS
5971-93-7
Multi CAS
No
Molecular Formula
BC24H20Rb
Molecular Weight
404.700000
Exact Mass
404.077596
InChI
InChI=1S/C24H20B.Rb/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;/q-1;+1
InChIKey
SQJLZQVNFRBQQI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
110.06
TPSA
0.0000
LogP / Solubility
WLOGP
0.07
MLOGP
0.08
XLogP3
0.07
Consensus LogP
0.07
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-5.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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