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CAS 28225-52-7 Quinoline, 8-(diphenylphosphino)- molecular structure lightbox
CAS RN: 28225-52-7

Quinoline, 8-(diphenylphosphino)-

  • Product code: SSC-129059
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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 28225-52-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

28225-52-7 / diphenyl(quinolin-8-yl)phosphane

Standard CAS: 28225-52-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28225-52-7
Multi CAS
No
Molecular Formula
C21H16NP
Molecular Weight
313.300000
Exact Mass
313.102037
InChI
InChI=1S/C21H16NP/c1-3-11-18(12-4-1)23(19-13-5-2-6-14-19)20-15-7-9-17-10-8-16-22-21(17)20/h1-16H
InChIKey
KEJUJPUDSJXTMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
22
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
100.45
TPSA
12.89

LogP / Solubility

WLOGP
3.99
MLOGP
3.53
XLogP3
4.5
Consensus LogP
4.01
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
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)
-1.8

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
3

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