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CAS 5197-95-5 Benzyltriethylammonium Bromide molecular structure lightbox
CAS RN: 5197-95-5

Benzyltriethylammonium Bromide

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250601 100g In stock Inquiry
Batchno.20251105 2.5kg In stock Inquiry
Batchno.20260609 25g In stock Inquiry
Batchno.20251118 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260111 100g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260304 1kg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260329 500g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20251126 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-159016
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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: 500g
  • 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 5197-95-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ＞98% 0 Out of Stock Shenzhen Inquiry

5197-95-5 / benzyl(triethyl)azanium bromide

Standard CAS: 5197-95-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5197-95-5
Multi CAS
Yes
Molecular Formula
BC13H22Rn
Molecular Weight
272.220000
Exact Mass
271.093560
InChI
InChI=1S/C13H22N.BrH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1
InChIKey
CHQVQXZFZHACQQ-UHFFFAOYSA-M

Physical Properties

Physical Description
Beige hygroscopic powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
62.03
TPSA
0.0000

LogP / Solubility

WLOGP
0.07
MLOGP
0.07
XLogP3
0.07
Consensus LogP
0.07
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-4.33

Drug-likeness / Medicinal Chemistry

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

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