CAS RN: 4965-17-7
Tetraamylammonium Chloride
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: ICTT1433
- Purity/Analytical Methods: >98.0%(T)
4965-17-7 / tetrapentylazanium chloride
Basic Information
CAS
4965-17-7
Multi CAS
Yes
Molecular Formula
C20H44CLN
Molecular Weight
334.000000
Exact Mass
333.316228
InChI
InChI=1S/C20H44N.ClH/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1
InChIKey
SXAWRMKQZKPHNJ-UHFFFAOYSA-M
Physical Properties
Physical Description
White hygroscopic crystals
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
16
H-bond acceptors
1
Molar refractivity
97.83
TPSA
0.0000
LogP / Solubility
WLOGP
3.57
MLOGP
3.16
XLogP3
3.57
Consensus LogP
3.43
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.71
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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