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CAS 7333-51-9 CYCLOHEXYLTRIPHENYLPHOSPHONIUM BROMIDE molecular structure lightbox
CAS RN: 7333-51-9

CYCLOHEXYLTRIPHENYLPHOSPHONIUM BROMIDE

  • Product code: SSC-182799
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ＞97%
  • 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 7333-51-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shanghai Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

7333-51-9 / cyclohexyl(triphenyl)phosphanium bromide

Standard CAS: 7333-51-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7333-51-9
Multi CAS
Yes
Molecular Formula
C24H26BRP
Molecular Weight
425.300000
Exact Mass
424.095550
InChI
InChI=1S/C24H26P.BrH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-3,5-10,13-18,24H,4,11-12,19-20H2;1H/q+1;/p-1
InChIKey
QRAKRDZMIONMRZ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
112.02
TPSA
0.0000

LogP / Solubility

WLOGP
2.32
MLOGP
2.07
XLogP3
2.32
Consensus LogP
2.24
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
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
No
Log Kp (skin permeation)
-3.67

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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