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CAS 1674334-59-8 3-Bromo-11,11-dimethyl-11H-benzo[b]fluorene molecular structure lightbox
CAS RN: 1674334-59-8

3-Bromo-11,11-dimethyl-11H-benzo[b]fluorene

  • Product code: SSC-073041
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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: 25g
  • 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 1674334-59-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

1674334-59-8 / 3-bromo-11,11-dimethylbenzo[b]fluorene

Standard CAS: 1674334-59-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1674334-59-8
Multi CAS
No
Molecular Formula
C19H15Br
Molecular Weight
323.200000
Exact Mass
322.035710
SMILES
CC1(C2=C(C=C(C=C2)Br)C3=CC4=CC=CC=C4C=C31)C
InChI
InChI=1S/C19H15Br/c1-19(2)17-8-7-14(20)11-16(17)15-9-12-5-3-4-6-13(12)10-18(15)19/h3-11H,1-2H3
InChIKey
FQVJDMLLEHLYEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.16
Molar refractivity
89.21
TPSA
0.0000

LogP / Solubility

WLOGP
5.91
MLOGP
5.21
XLogP3
6.4
Consensus LogP
5.84
Log S (ESOL)
-6.16
Class (ESOL)
Insoluble
Log S (Ali)
-6.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.67
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)
-0.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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