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CAS 62-51-1 Methacholine Chloride molecular structure lightbox
CAS RN: 62-51-1

Methacholine Chloride

  • Product code: SSC-171001
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 62-51-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞95% 0 Out of Stock Hong Kong Inquiry

62-51-1 / 2-acetyloxypropyl(trimethyl)azanium chloride

Standard CAS: 62-51-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62-51-1
Multi CAS
Yes
Molecular Formula
C8H18CLNO2
Molecular Weight
195.690000
Exact Mass
195.102607
InChI
InChI=1S/C8H18NO2.ClH/c1-7(11-8(2)10)6-9(3,4)5;/h7H,6H2,1-5H3;1H/q+1;/p-1
InChIKey
JHPHVAVFUYTVCL-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
44.13
TPSA
26.3

LogP / Solubility

WLOGP
-2.35
MLOGP
-2.07
XLogP3
-2.35
Consensus LogP
-2.26
Log S (ESOL)
0.63
Class (ESOL)
Highly soluble
Log S (Ali)
0.53
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.66
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)
-5.58

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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