CAS RN: 44992-01-0

Acryloyloxyethyltrimethyl ammonium chloride

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11 package records10 with current stock3 grade groups
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Batchno.20250818 100ml In stock Shandong, Guangdong, Chongqing, Hebei Inquiry
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Batchno.20251013 500ml In stock Inquiry
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  • Product code: starshine_CAS44992-01-0
  • Purity/Analytical Methods: >99.0%
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44992-01-0 / trimethyl(2-prop-2-enoyloxyethyl)azanium chloride

Standard CAS: 44992-01-0 Multi CAS: No

Basic Information

CAS
44992-01-0
Multi CAS
No
Molecular Formula
C8H16CLNO2
Molecular Weight
193.670000
Exact Mass
193.086956
InChI
InChI=1S/C8H16NO2.ClH/c1-5-8(10)11-7-6-9(2,3)4;/h5H,1,6-7H2,2-4H3;1H/q+1;/p-1
InChIKey
FZGFBJMPSHGTRQ-UHFFFAOYSA-M

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
44.06
TPSA
26.3

LogP / Solubility

WLOGP
-2.57
MLOGP
-2.27
XLogP3
-2.57
Consensus LogP
-2.47
Log S (ESOL)
0.84
Class (ESOL)
Highly soluble
Log S (Ali)
0.71
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.74
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.73

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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