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CAS 55894-18-3 ALLYL TRIBUTYLPHOSPHONIUM BROMIDE molecular structure lightbox
CAS RN: 55894-18-3

ALLYL TRIBUTYLPHOSPHONIUM BROMIDE

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260509 1g In stock Inquiry
Batchno.20250517 250mg In stock Inquiry
Batchno.20250303 25g Out of stock Inquiry
Batchno.20250211 5g In stock Inquiry
  • Product code: SSC-163839
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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: 5g
  • 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 55894-18-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

55894-18-3 / tributyl(prop-2-enyl)phosphanium bromide

Standard CAS: 55894-18-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55894-18-3
Multi CAS
Yes
Molecular Formula
C15H32BRP
Molecular Weight
323.290000
Exact Mass
322.142500
InChI
InChI=1S/C15H32P.BrH/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3;/h8H,4-7,9-15H2,1-3H3;1H/q+1;/p-1
InChIKey
GGJHLMANZFSVPZ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.87
Rotatable bonds
11
H-bond acceptors
1
Molar refractivity
81.31
TPSA
0.0000

LogP / Solubility

WLOGP
2.59
MLOGP
2.3
XLogP3
2.59
Consensus LogP
2.49
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
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)
-2.85

Drug-likeness / Medicinal Chemistry

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

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