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CAS 3053-68-7 Triphenylborane – Triphenylphosphine Complex molecular structure lightbox
CAS RN: 3053-68-7

Triphenylborane – Triphenylphosphine Complex

  • Product code: SSC-135143
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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 3053-68-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

3053-68-7 / triphenylborane;triphenylphosphane

Standard CAS: 3053-68-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3053-68-7
Multi CAS
No
Molecular Formula
BC36H30P
Molecular Weight
504.400000
Exact Mass
504.217818
InChI
InChI=1S/C18H15B.C18H15P/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2*1-15H
InChIKey
QLAGHGSFXJZWKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
36
Rotatable bonds
6
Molar refractivity
169.13
TPSA
0.0000

LogP / Solubility

WLOGP
5.65
MLOGP
5.01
XLogP3
5.65
Consensus LogP
5.44
Log S (ESOL)
-6.83
Class (ESOL)
Insoluble
Log S (Ali)
-7.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.35
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.79

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
5.5

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