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CAS 70340-04-4 (2-Hydroxybenzyl)triphenylphosphonium Bromide molecular structure lightbox
CAS RN: 70340-04-4

(2-Hydroxybenzyl)triphenylphosphonium Bromide

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250808 10g In stock Inquiry
Batchno.20260629 25g In stock Inquiry
Batchno.20250321 50g In stock Inquiry
Batchno.20250616 5g In stock Inquiry
  • Product code: SSC-180147
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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 70340-04-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Hong Kong Inquiry

70340-04-4 / (2-hydroxyphenyl)methyl-triphenylphosphanium bromide

Standard CAS: 70340-04-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70340-04-4
Multi CAS
Yes
Molecular Formula
C25H22BROP
Molecular Weight
449.300000
Exact Mass
448.059160
InChI
InChI=1S/C25H21OP.BrH/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24;/h1-19H,20H2;1H
InChIKey
FKKZGQXMWVGPMH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
116.96
TPSA
20.23

LogP / Solubility

WLOGP
1.89
MLOGP
1.69
XLogP3
1.89
Consensus LogP
1.82
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.12

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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