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CAS 865702-19-8 3,6-Dibromo-9,9-dimethylfluorene molecular structure lightbox
CAS RN: 865702-19-8

3,6-Dibromo-9,9-dimethylfluorene

  • Product code: SSC-195737
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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 865702-19-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

865702-19-8 / 3,6-dibromo-9,9-dimethylfluorene

Standard CAS: 865702-19-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
865702-19-8
Multi CAS
No
Molecular Formula
C15H12BR2
Molecular Weight
352.060000
Exact Mass
351.928530
InChI
InChI=1S/C15H12Br2/c1-15(2)13-5-3-9(16)7-11(13)12-8-10(17)4-6-14(12)15/h3-8H,1-2H3
InChIKey
WDNWGRMGIZVOEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.2
Molar refractivity
79.41
TPSA
0.0000

LogP / Solubility

WLOGP
5.52
MLOGP
4.87
XLogP3
5.8
Consensus LogP
5.4
Log S (ESOL)
-6.02
Class (ESOL)
Insoluble
Log S (Ali)
-6.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.53
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-0.95

Drug-likeness / Medicinal Chemistry

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

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