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CAS 66310-10-9 N-BENZYL-2,4,6-TRIPHENYL PYRIDINIUM TETRAFLUOROBORATE molecular structure lightbox
CAS RN: 66310-10-9

N-BENZYL-2,4,6-TRIPHENYL PYRIDINIUM TETRAFLUOROBORATE

  • Product code: SSC-175951
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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 66310-10-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

66310-10-9 / 1-benzyl-2,4,6-triphenylpyridin-1-ium tetrafluoroborate

Standard CAS: 66310-10-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66310-10-9
Multi CAS
Yes
Molecular Formula
BC30F4H24N
Molecular Weight
485.300000
Exact Mass
485.193793
InChI
InChI=1S/C30H24N.BF4/c1-5-13-24(14-6-1)23-31-29(26-17-9-3-10-18-26)21-28(25-15-7-2-8-16-25)22-30(31)27-19-11-4-12-20-27;2-1(3,4)5/h1-22H,23H2;/q+1;-1
InChIKey
HFFQDUCESBXLGP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
30
Fraction Csp3
0.03
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
138.67
TPSA
3.88

LogP / Solubility

WLOGP
8.32
MLOGP
7.36
XLogP3
8.32
Consensus LogP
8
Log S (ESOL)
-8.38
Class (ESOL)
Insoluble
Log S (Ali)
-9.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.32
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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