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CAS 5405-63-0 Triphenylphosphine,1,4-benzoquinone adduct molecular structure lightbox
CAS RN: 5405-63-0

Triphenylphosphine,1,4-benzoquinone adduct

  • Product code: SSC-161568
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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: 25g
  • 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 5405-63-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

5405-63-0 / (2,5-dihydroxyphenyl)-triphenylphosphanium

Standard CAS: 5405-63-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5405-63-0
Multi CAS
Yes
Molecular Formula
C24H20O2P
Molecular Weight
371.400000
Exact Mass
371.120092
InChI
InChI=1S/C24H19O2P/c25-19-16-17-23(26)24(18-19)27(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-18H,(H-,25,26)/p+1
InChIKey
YCXVHURLDBUOMW-UHFFFAOYSA-O

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
114.55
TPSA
40.46

LogP / Solubility

WLOGP
3.72
MLOGP
3.29
XLogP3
5.5
Consensus LogP
4.17
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
Class (SILICOS-IT)
Slightly soluble

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)
-2.35

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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