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CAS 18509-25-6 DIETHOXY-TRIPHENYL PHOSPHANE molecular structure lightbox
CAS RN: 18509-25-6

DIETHOXY-TRIPHENYL PHOSPHANE

  • Product code: SSC-085615
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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 18509-25-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

18509-25-6 / diethoxy(triphenyl)-lambda5-phosphane

Standard CAS: 18509-25-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18509-25-6
Multi CAS
No
Molecular Formula
C22H25O2P
Molecular Weight
352.400000
Exact Mass
352.159217
SMILES
CCOP(C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)OCC
InChI
InChI=1S/C22H25O2P/c1-3-23-25(24-4-2,20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19H,3-4H2,1-2H3
InChIKey
VNDGDIVLUIAJCI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.18
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
108.4
TPSA
18.46

LogP / Solubility

WLOGP
4.42
MLOGP
3.91
XLogP3
5.5
Consensus LogP
4.61
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.46
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)
-1.73

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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