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CAS 7484-37-9 3-PHENYLPROPYL TRIPHENYLPHOSPHONIUM BROMIDE molecular structure lightbox
CAS RN: 7484-37-9

3-PHENYLPROPYL TRIPHENYLPHOSPHONIUM BROMIDE

  • Product code: SSC-184293
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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 7484-37-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

7484-37-9 / triphenyl(3-phenylpropyl)phosphanium bromide

Standard CAS: 7484-37-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7484-37-9
Multi CAS
Yes
Molecular Formula
C27H26BRP
Molecular Weight
461.400000
Exact Mass
460.095550
InChI
InChI=1S/C27H26P.BrH/c1-5-14-24(15-6-1)16-13-23-28(25-17-7-2-8-18-25,26-19-9-3-10-20-26)27-21-11-4-12-22-27;/h1-12,14-15,17-22H,13,16,23H2;1H/q+1;/p-1
InChIKey
RPUZOJFXAPSSJD-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
24
Fraction Csp3
0.11
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
124.78
TPSA
0.0000

LogP / Solubility

WLOGP
2.62
MLOGP
2.33
XLogP3
2.62
Consensus LogP
2.52
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
Class (SILICOS-IT)
Slightly soluble

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)
-3.68

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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