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CAS 88840-42-0 1-Methyl-1-propylpiperidinium Bromide molecular structure lightbox
CAS RN: 88840-42-0

1-Methyl-1-propylpiperidinium Bromide

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251019 25g In stock Shanghai, Guangdong Inquiry
Batchno.20260413 5g In stock Shandong Inquiry
  • Product code: SSC-200567
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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: ≥98%
  • 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 88840-42-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry

88840-42-0 / 1-methyl-1-propylpiperidin-1-ium bromide

Standard CAS: 88840-42-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88840-42-0
Multi CAS
No
Molecular Formula
BC9H20Rn
Molecular Weight
222.170000
Exact Mass
221.077910
InChI
InChI=1S/C9H20N.BrH/c1-3-7-10(2)8-5-4-6-9-10;/h3-9H2,1-2H3;1H/q+1;/p-1
InChIKey
CSANMXKHSHGXNC-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
44.93
TPSA
0.0000

LogP / Solubility

WLOGP
-0.97
MLOGP
-0.85
XLogP3
-0.97
Consensus LogP
-0.93
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.54
Class (SILICOS-IT)
Very 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)
-4.76

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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