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CAS 84591-80-0 Phosphine, bis(4-bromophenyl)phenyl- molecular structure lightbox
CAS RN: 84591-80-0

Phosphine, bis(4-bromophenyl)phenyl-

  • Product code: SSC-192171
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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 84591-80-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

84591-80-0 / bis(4-bromophenyl)-phenylphosphane

Standard CAS: 84591-80-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84591-80-0
Multi CAS
No
Molecular Formula
C18H13BR2P
Molecular Weight
420.100000
Exact Mass
419.910110
InChI
InChI=1S/C18H13Br2P/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H
InChIKey
XQTRLZHQNYWEQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
18
Rotatable bonds
3
Molar refractivity
100.55
TPSA
0.0000

LogP / Solubility

WLOGP
4.97
MLOGP
4.4
XLogP3
6
Consensus LogP
5.12
Log S (ESOL)
-6.01
Class (ESOL)
Insoluble
Log S (Ali)
-6.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.88
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.75

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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