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CAS 6104-48-9 Ethynyl(diphenyl)phosphine Oxide molecular structure lightbox
CAS RN: 6104-48-9

Ethynyl(diphenyl)phosphine Oxide

  • Product code: SSC-169797
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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 6104-48-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

6104-48-9 / [ethynyl(phenyl)phosphoryl]benzene

Standard CAS: 6104-48-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6104-48-9
Multi CAS
No
Molecular Formula
C14H11OP
Molecular Weight
226.210000
Exact Mass
226.054752
InChI
InChI=1S/C14H11OP/c1-2-16(15,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h1,3-12H
InChIKey
DVERTYATJOQUGS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
68.59
TPSA
17.07

LogP / Solubility

WLOGP
2.59
MLOGP
2.28
XLogP3
2.9
Consensus LogP
2.59
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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