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CAS 32353-50-7 1-Ethyl-2-methylpyridinium Bromide molecular structure lightbox
CAS RN: 32353-50-7

1-Ethyl-2-methylpyridinium Bromide

  • Product code: SSC-137912
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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: 1g
  • 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 32353-50-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

32353-50-7 / 1-ethyl-2-methylpyridin-1-ium bromide

Standard CAS: 32353-50-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32353-50-7
Multi CAS
Yes
Molecular Formula
BC8H12Rn
Molecular Weight
202.090000
Exact Mass
201.015310
InChI
InChI=1S/C8H12N.BrH/c1-3-9-7-5-4-6-8(9)2;/h4-7H,3H2,1-2H3;1H/q+1;/p-1
InChIKey
QTXZDFXPUPKBJC-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
37.05
TPSA
3.88

LogP / Solubility

WLOGP
-1.69
MLOGP
-1.49
XLogP3
-1.69
Consensus LogP
-1.62
Log S (ESOL)
-0.4
Class (ESOL)
Very soluble
Log S (Ali)
0.01
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.31
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)
-5.16

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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