CAS RN: 886059-84-3
DI-T-BUTYLNEOPENTYLPHONIUM TETRAFLUOROBORATE,MIN.95%
Product Availability
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3 package records2 with current stock2 grade groups
- Product code: starshine_CAS886059-84-3
- Purity/Analytical Methods: >99.0%
886059-84-3 / ditert-butyl(2,2-dimethylpropyl)phosphanium tetrafluoroborate
Basic Information
CAS
886059-84-3
Multi CAS
No
Molecular Formula
BC13F4H30P
Molecular Weight
304.160000
Exact Mass
304.211431
InChI
InChI=1S/C13H29P.BF4/c1-11(2,3)10-14(12(4,5)6)13(7,8)9;2-1(3,4)5/h10H2,1-9H3;/q;-1/p+1
InChIKey
UWNPUGYQGIWNRI-UHFFFAOYSA-O
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
82.33
TPSA
0.0000
LogP / Solubility
WLOGP
6.14
MLOGP
5.42
XLogP3
6.14
Consensus LogP
5.9
Log S (ESOL)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.86
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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