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CAS 15929-43-8 bis(4-(trifluoroMethyl)phenyl)phosphine oxide molecular structure lightbox
CAS RN: 15929-43-8

bis(4-(trifluoroMethyl)phenyl)phosphine oxide

  • Product code: SSC-067288
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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: ＞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 15929-43-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

15929-43-8 / oxo-bis[4-(trifluoromethyl)phenyl]phosphanium

Standard CAS: 15929-43-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15929-43-8
Multi CAS
No
Molecular Formula
C14H8F6OP+
Molecular Weight
337.180000
Exact Mass
337.021696
SMILES
C1=CC(=CC=C1C(F)(F)F)[P+](=O)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C14H8F6OP/c15-13(16,17)9-1-5-11(6-2-9)22(21)12-7-3-10(4-8-12)14(18,19)20/h1-8H/q+1
InChIKey
OUILBJIDCJXKEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
69.76
TPSA
17.07

LogP / Solubility

WLOGP
4.5
MLOGP
3.98
XLogP3
4.2
Consensus LogP
4.23
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
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
No
Log Kp (skin permeation)
-1.58

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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