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CAS 69891-92-5 2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium Bromide molecular structure lightbox
CAS RN: 69891-92-5

2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium Bromide

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251016 100g Out of stock Inquiry
Batchno.20251008 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250628 25g In stock Chengdu Inquiry
Batchno.20250406 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-179652
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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: 10g
  • 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 69891-92-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 0 Out of Stock Shanghai Inquiry

69891-92-5 / 2-(1,3-dioxan-2-yl)ethyl-triphenylphosphanium bromide

Standard CAS: 69891-92-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69891-92-5
Multi CAS
Yes
Molecular Formula
C24H26BRO2P
Molecular Weight
457.300000
Exact Mass
456.085380
InChI
InChI=1S/C24H26O2P.BrH/c1-4-11-21(12-5-1)27(22-13-6-2-7-14-22,23-15-8-3-9-16-23)20-17-24-25-18-10-19-26-24;/h1-9,11-16,24H,10,17-20H2;1H/q+1;/p-1
InChIKey
XETDBHNHTOJWPZ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
114.94
TPSA
18.46

LogP / Solubility

WLOGP
1.14
MLOGP
1.03
XLogP3
1.14
Consensus LogP
1.1
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly 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)
-4.7

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
3

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