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CAS 6396-07-2 DIIODOTRIPHENYLPHOSPHORANE molecular structure lightbox
CAS RN: 6396-07-2

DIIODOTRIPHENYLPHOSPHORANE

  • Product code: SSC-173745
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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 6396-07-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

6396-07-2 / diiodo(triphenyl)-lambda5-phosphane

Standard CAS: 6396-07-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6396-07-2
Multi CAS
Yes
Molecular Formula
C18H15I2P
Molecular Weight
516.100000
Exact Mass
515.900080
InChI
InChI=1S/C18H15I2P/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey
NSWZEXJQHIXCFL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
18
Rotatable bonds
3
Molar refractivity
113.19
TPSA
0.0000

LogP / Solubility

WLOGP
5.22
MLOGP
4.63
XLogP3
6.3
Consensus LogP
5.38
Log S (ESOL)
-6.76
Class (ESOL)
Insoluble
Log S (Ali)
-7.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.7
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.16

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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