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CAS 881912-14-7 2-(3-Bromophenyl)-9,9-dimethyl-9H-fluorene molecular structure lightbox
CAS RN: 881912-14-7

2-(3-Bromophenyl)-9,9-dimethyl-9H-fluorene

  • Product code: SSC-198714
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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 881912-14-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

881912-14-7 / 2-(3-bromophenyl)-9,9-dimethylfluorene

Standard CAS: 881912-14-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
881912-14-7
Multi CAS
No
Molecular Formula
C21H17BR
Molecular Weight
349.300000
Exact Mass
348.051360
InChI
InChI=1S/C21H17Br/c1-21(2)19-9-4-3-8-17(19)18-11-10-15(13-20(18)21)14-6-5-7-16(22)12-14/h3-13H,1-2H3
InChIKey
DOCPABXUROJRDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
1
Molar refractivity
97.14
TPSA
0.0000

LogP / Solubility

WLOGP
6.42
MLOGP
5.67
XLogP3
6.7
Consensus LogP
6.26
Log S (ESOL)
-6.59
Class (ESOL)
Insoluble
Log S (Ali)
-7.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.38
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
No
Log Kp (skin permeation)
-0.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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