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CAS 20445-94-7 Tributyl(ethyl)phosphonium Diethyl Phosphate molecular structure lightbox
CAS RN: 20445-94-7

Tributyl(ethyl)phosphonium Diethyl Phosphate

  • Product code: SSC-096186
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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: ≥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 20445-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

20445-94-7 / diethyl phosphate;tributyl(ethyl)phosphanium

Standard CAS: 20445-94-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20445-94-7
Multi CAS
No
Molecular Formula
C18H42O4P2
Molecular Weight
384.500000
Exact Mass
384.255834
SMILES
CCCC[P+](CC)(CCCC)CCCC.CCOP(=O)([O-])OCC
InChI
InChI=1S/C14H32P.C4H11O4P/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;1-3-7-9(5,6)8-4-2/h5-14H2,1-4H3;3-4H2,1-2H3,(H,5,6)/q+1;/p-1
InChIKey
RDCTYOLAEUHRGG-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
1
Rotatable bonds
14
H-bond acceptors
4
Molar refractivity
107.64
TPSA
58.59

LogP / Solubility

WLOGP
5.95
MLOGP
5.26
XLogP3
5.95
Consensus LogP
5.72
Log S (ESOL)
-5.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.78
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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