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CAS 866769-99-5 2,5-Bis(4-bromophenyl)-1,1-dimethyl-3,4-diphenylsilole molecular structure lightbox
CAS RN: 866769-99-5

2,5-Bis(4-bromophenyl)-1,1-dimethyl-3,4-diphenylsilole

  • Product code: SSC-195914
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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 866769-99-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

866769-99-5 / 2,5-bis(4-bromophenyl)-1,1-dimethyl-3,4-diphenylsilole

Standard CAS: 866769-99-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
866769-99-5
Multi CAS
No
Molecular Formula
C30H24BR2SI
Molecular Weight
572.400000
Exact Mass
571.999350
InChI
InChI=1S/C30H24Br2Si/c1-33(2)29(23-13-17-25(31)18-14-23)27(21-9-5-3-6-10-21)28(22-11-7-4-8-12-22)30(33)24-15-19-26(32)20-16-24/h3-20H,1-2H3
InChIKey
ZIHPPFVYCIHQLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.07
Rotatable bonds
4
Molar refractivity
152.28
TPSA
0.0000

LogP / Solubility

WLOGP
9.53
MLOGP
8.43
XLogP3
9.53
Consensus LogP
9.16
Log S (ESOL)
-9.67
Class (ESOL)
Insoluble
Log S (Ali)
-11.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.77
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)
0.56

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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