CAS RN: 960-71-4
TRIPHENYLBORANE
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS960-71-4
- Purity/Analytical Methods: >99.0%
960-71-4 / triphenylborane
Basic Information
CAS
960-71-4
Multi CAS
No
Molecular Formula
BC18H15
Molecular Weight
242.100000
Exact Mass
242.126681
InChI
InChI=1S/C18H15B/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey
MXSVLWZRHLXFKH-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
White crystalline solid; [EPA ChAMP: Screening Level Hazard Characterization: Triphenylboron Category - 2009] Off-white odorless crystals
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
18
Rotatable bonds
3
Molar refractivity
83.98
TPSA
0.0000
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
2.2
Consensus LogP
2.11
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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