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CAS 2240-47-3 imidotriphenylphosphorus molecular structure lightbox
CAS RN: 2240-47-3

imidotriphenylphosphorus

  • Product code: SSC-109147
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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 2240-47-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2240-47-3 / imino(triphenyl)-lambda5-phosphane

Standard CAS: 2240-47-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2240-47-3
Multi CAS
No
Molecular Formula
C18H16NP
Molecular Weight
277.300000
Exact Mass
277.102037
SMILES
C1=CC=C(C=C1)P(=N)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H16NP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H
InChIKey
DHOUOTPZYIKUDF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
87.87
TPSA
23.85

LogP / Solubility

WLOGP
3.74
MLOGP
3.3
XLogP3
4.1
Consensus LogP
3.71
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
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
No
Log Kp (skin permeation)
-1.75

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
1.5

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