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CAS 2382-43-6 β-Methylcholine Chloride molecular structure lightbox
CAS RN: 2382-43-6

β-Methylcholine Chloride

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250905 100g In stock Inquiry
Batchno.20250518 1g In stock Inquiry
Batchno.20250921 25g In stock Inquiry
Batchno.20251020 5g In stock Inquiry
  • Product code: SSC-116054
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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 2382-43-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞95% 0 Out of Stock Beijing Inquiry

2382-43-6 / 2-hydroxypropyl(trimethyl)azanium chloride

Standard CAS: 2382-43-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2382-43-6
Multi CAS
No
Molecular Formula
C6H16ClNO
Molecular Weight
153.650000
Exact Mass
153.092042
SMILES
CC(C[N+](C)(C)C)O.[Cl-]
InChI
InChI=1S/C6H16NO.ClH/c1-6(8)5-7(2,3)4;/h6,8H,5H2,1-4H3;1H/q+1;/p-1
InChIKey
RUUHDEGJEGHQKL-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
-2.58
XLogP3
-2.92
Consensus LogP
-2.81
Log S (ESOL)
1.18
Class (ESOL)
Highly soluble
Log S (Ali)
1.29
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.53
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
2

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