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CAS 15464-47-8 tetraphenylphosphonium phenolate molecular structure lightbox
CAS RN: 15464-47-8

tetraphenylphosphonium phenolate

  • Product code: SSC-063981
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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: 10g
  • 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 15464-47-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

15464-47-8 / tetraphenylphosphanium phenoxide

Standard CAS: 15464-47-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15464-47-8
Multi CAS
No
Molecular Formula
C30H25OP
Molecular Weight
432.500000
Exact Mass
432.164302
SMILES
C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H20P.C6H6O/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;7-6-4-2-1-3-5-6/h1-20H;1-5,7H/q+1;/p-1
InChIKey
ZLLNYWQSSYUXJM-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
30
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
137.11
TPSA
23.06

LogP / Solubility

WLOGP
5.07
MLOGP
4.49
XLogP3
5.07
Consensus LogP
4.88
Log S (ESOL)
-6.14
Class (ESOL)
Insoluble
Log S (Ali)
-6.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.16
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)
-1.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Corrosive Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501

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