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CAS 94280-72-5 1-Butyl-1-methylpiperidinium Bromide molecular structure lightbox
CAS RN: 94280-72-5

1-Butyl-1-methylpiperidinium Bromide

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250921 100g In stock Inquiry
Batchno.20250905 1g In stock Inquiry
Batchno.20250308 25g In stock Inquiry
Batchno.20250521 500g In stock Inquiry
Batchno.20260121 5g In stock Inquiry
  • Product code: SSC-208943
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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: 100g
  • Available purity: ≥97%
  • 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 94280-72-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

94280-72-5 / 1-butyl-1-methylpiperidin-1-ium bromide

Standard CAS: 94280-72-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
94280-72-5
Multi CAS
No
Molecular Formula
BC10H22Rn
Molecular Weight
236.190000
Exact Mass
235.093560
InChI
InChI=1S/C10H22N.BrH/c1-3-4-8-11(2)9-6-5-7-10-11;/h3-10H2,1-2H3;1H/q+1;/p-1
InChIKey
WYABBCZMFVULEF-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
49.54
TPSA
0.0000

LogP / Solubility

WLOGP
-0.58
MLOGP
-0.51
XLogP3
-0.58
Consensus LogP
-0.56
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.07
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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