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CAS 874-80-6 1-Butylpyridinium Bromide molecular structure lightbox
CAS RN: 874-80-6

1-Butylpyridinium Bromide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260622 1g / 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-197294
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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: ≥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 874-80-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

874-80-6 / 1-butylpyridin-1-ium bromide

Standard CAS: 874-80-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
874-80-6
Multi CAS
Yes
Molecular Formula
BC9H14Rn
Molecular Weight
216.120000
Exact Mass
215.030960
InChI
InChI=1S/C9H14N.BrH/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H/q+1;/p-1
InChIKey
KVBQNFMTEUEOCD-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
41.55
TPSA
3.88

LogP / Solubility

WLOGP
-1.22
MLOGP
-1.07
XLogP3
-1.22
Consensus LogP
-1.17
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
Class (SILICOS-IT)
Very 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)
-4.91

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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