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CAS 60154-19-0 BETA-METHYLCHOLINE IODIDE molecular structure lightbox
CAS RN: 60154-19-0

BETA-METHYLCHOLINE IODIDE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260314 1g In stock Inquiry
Batchno.20250227 25g In stock Inquiry
Batchno.20250118 5g In stock Inquiry
  • Product code: starshine_CAS60154-19-0
  • Purity/Analytical Methods: >99.0%
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60154-19-0 / 2-hydroxypropyl(trimethyl)azanium iodide

Standard CAS: 60154-19-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
60154-19-0
Multi CAS
No
Molecular Formula
C6H16InO
Molecular Weight
245.100000
Exact Mass
245.027660
InChI
InChI=1S/C6H16NO.HI/c1-6(8)5-7(2,3)4;/h6,8H,5H2,1-4H3;1H/q+1;/p-1
InChIKey
FOILINVEQJRMPF-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
34.58
TPSA
20.23

LogP / Solubility

WLOGP
-2.92
MLOGP
-2.57
XLogP3
-2.92
Consensus LogP
-2.8
Log S (ESOL)
0.61
Class (ESOL)
Highly soluble
Log S (Ali)
0.54
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.93
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)
-6.29

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
2

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