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CAS 13423-48-8 Heptyltriphenylphosphonium Bromide molecular structure lightbox
CAS RN: 13423-48-8

Heptyltriphenylphosphonium Bromide

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251102 100g In stock Inquiry
Batchno.20260524 25g In stock Inquiry
Batchno.20250520 500g Out of stock Inquiry
Batchno.20260105 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250221 100g In stock Shanghai Inquiry
Batchno.20250611 25g In stock Shanghai Inquiry
Batchno.20260312 500g In stock Shenzhen, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250413 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-041707
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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: ≥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 13423-48-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

13423-48-8 / heptyl(triphenyl)phosphanium bromide

Standard CAS: 13423-48-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13423-48-8
Multi CAS
No
Molecular Formula
C25H30BrP
Molecular Weight
441.400000
Exact Mass
440.126850
SMILES
CCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
InChI
InChI=1S/C25H30P.BrH/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h6-14,16-21H,2-5,15,22H2,1H3;1H/q+1;/p-1
InChIKey
WCZSOHSGMBVYFW-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
118.77
TPSA
0.0000

LogP / Solubility

WLOGP
2.95
MLOGP
2.63
XLogP3
2.95
Consensus LogP
2.84
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.06
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.31

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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