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CAS 42134-49-6 (3-Trimethylsilyl-2-propynyl)triphenylphosphonium Bromide molecular structure lightbox
CAS RN: 42134-49-6

(3-Trimethylsilyl-2-propynyl)triphenylphosphonium Bromide

  • Product code: SSC-150447
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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: 1g
  • 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 42134-49-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

42134-49-6 / triphenyl(3-trimethylsilylprop-2-ynyl)phosphanium bromide

Standard CAS: 42134-49-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42134-49-6
Multi CAS
Yes
Molecular Formula
C24H26BRPSI
Molecular Weight
453.400000
Exact Mass
452.072480
InChI
InChI=1S/C24H26PSi.BrH/c1-26(2,3)21-13-20-25(22-14-7-4-8-15-22,23-16-9-5-10-17-23)24-18-11-6-12-19-24;/h4-12,14-19H,20H2,1-3H3;1H/q+1;/p-1
InChIKey
PBSHVEOONSKWJF-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
121.14
TPSA
0.0000

LogP / Solubility

WLOGP
1.87
MLOGP
1.67
XLogP3
1.87
Consensus LogP
1.8
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
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)
-4.16

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

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