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CAS 117672-48-7 Triphenylphosphine imine sulfate molecular structure lightbox
CAS RN: 117672-48-7

Triphenylphosphine imine sulfate

  • Product code: SSC-017522
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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: 5g
  • 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 117672-48-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

117672-48-7 / imino(triphenyl)-lambda5-phosphane;sulfuric acid

Triphenylphosphineimine sulfate | imino(triphenyl)-lambda5-phosphane;sulfuric acid | Triphenylphosphoranimine Sulfate

Standard CAS: 117672-48-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
117672-48-7
Multi CAS
No
Molecular Formula
C18H18NO4PS
Molecular Weight
375.400000
Exact Mass
375.069416
SMILES
C1=CC=C(C=C1)P(=N)(C2=CC=CC=C2)C3=CC=CC=C3.OS(=O)(=O)O
InChI
InChI=1S/C18H16NP.H2O4S/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5(2,3)4/h1-15,19H;(H2,1,2,3,4)
InChIKey
CZCFCCGIQUMKEA-UHFFFAOYSA-N
Synonyms
Triphenylphosphineimine sulfate imino(triphenyl)-lambda5-phosphane;sulfuric acid Triphenylphosphoranimine Sulfate MFCD22422287 Triphenylphosphine imine sulfate

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
102.05
TPSA
98.45

LogP / Solubility

WLOGP
3.09
MLOGP
2.74
XLogP3
3.09
Consensus LogP
2.97
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.82

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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