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CAS 3115-68-2 Tetrabutylphosphonium Bromide molecular structure lightbox
CAS RN: 3115-68-2

Tetrabutylphosphonium Bromide

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260304 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251025 1kg In stock Shanghai Inquiry
Batchno.20260507 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251026 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-136414
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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: 100g
  • 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 3115-68-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

3115-68-2 / tetrabutylphosphanium bromide

Standard CAS: 3115-68-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3115-68-2
Multi CAS
Yes
Molecular Formula
C16H36BRP
Molecular Weight
339.330000
Exact Mass
338.173800
InChI
InChI=1S/C16H36P.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
InChIKey
RKHXQBLJXBGEKF-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
1
Molar refractivity
86.02
TPSA
0.0000

LogP / Solubility

WLOGP
3.21
MLOGP
2.84
XLogP3
3.21
Consensus LogP
3.09
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
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)
-2.51

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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