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CAS 5039-78-1 Methacroylcholine Chloride (ca. 80% in Water) (stabilized with MEHQ) molecular structure lightbox
CAS RN: 5039-78-1

Methacroylcholine Chloride (ca. 80% in Water) (stabilized with MEHQ)

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260515 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250725 1kg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250625 25g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20251122 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-156904
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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: 500g
  • Available purity: N/A
  • 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 5039-78-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g N/A 0 Out of Stock Hong Kong Inquiry

5039-78-1 / trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride

Standard CAS: 5039-78-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5039-78-1
Multi CAS
Yes
Molecular Formula
C9H18CLNO2
Molecular Weight
207.700000
Exact Mass
207.102607
InChI
InChI=1S/C9H18NO2.ClH/c1-8(2)9(11)12-7-6-10(3,4)5;/h1,6-7H2,2-5H3;1H/q+1;/p-1
InChIKey
RRHXZLALVWBDKH-UHFFFAOYSA-M

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
48.67
TPSA
26.3

LogP / Solubility

WLOGP
-2.18
MLOGP
-1.92
XLogP3
-2.18
Consensus LogP
-2.09
Log S (ESOL)
0.51
Class (ESOL)
Highly soluble
Log S (Ali)
0.31
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.32
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)
-5.54

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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