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CAS 25316-59-0 Benzyltributylammonium Bromide molecular structure lightbox
CAS RN: 25316-59-0

Benzyltributylammonium Bromide

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250905 100g In stock Inquiry
Batchno.20250121 10g In stock Inquiry
Batchno.20260127 250g In stock Inquiry
Batchno.20250716 25g In stock Inquiry
Batchno.20250802 500g In stock Inquiry
Batchno.20250418 50g In stock Inquiry
  • Product code: SSC-121186
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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: ≥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 25316-59-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Hong Kong Inquiry

25316-59-0 / benzyl(tributyl)azanium bromide

Standard CAS: 25316-59-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25316-59-0
Multi CAS
No
Molecular Formula
C19H34BrN
Molecular Weight
356.400000
Exact Mass
355.187460
SMILES
CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.[Br-]
InChI
InChI=1S/C19H34N.BrH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1
InChIKey
UDYGXWPMSJPFDG-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
11
H-bond acceptors
1
Molar refractivity
89.73
TPSA
0.0000

LogP / Solubility

WLOGP
2.41
MLOGP
2.14
XLogP3
2.41
Consensus LogP
2.32
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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