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CAS 333-31-3 Methacholine Bromide molecular structure lightbox
CAS RN: 333-31-3

Methacholine Bromide

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260529 25g Out of stock Inquiry
Batchno.20250930 5g In stock Inquiry
  • Product code: SSC-139315
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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 333-31-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

333-31-3 / 2-acetyloxypropyl(trimethyl)azanium bromide

Standard CAS: 333-31-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
333-31-3
Multi CAS
No
Molecular Formula
BC8H18O2Rn
Molecular Weight
240.140000
Exact Mass
239.052090
InChI
InChI=1S/C8H18NO2.BrH/c1-7(11-8(2)10)6-9(3,4)5;/h7H,6H2,1-5H3;1H/q+1;/p-1
InChIKey
MMVPLEUBMWUYIB-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
-2.06
XLogP3
-2.35
Consensus LogP
-2.25
Log S (ESOL)
0.35
Class (ESOL)
Highly soluble
Log S (Ali)
0.17
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.37
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)
-5.85

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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