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CAS 286836-09-7 7-BROMO-4,5-DIFLUORO-1-BENZOFURAN molecular structure lightbox
CAS RN: 286836-09-7

7-BROMO-4,5-DIFLUORO-1-BENZOFURAN

  • Product code: SSC-130255
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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 286836-09-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

286836-09-7 / 7-bromo-4,5-difluoro-1-benzofuran

Standard CAS: 286836-09-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
286836-09-7
Multi CAS
No
Molecular Formula
C8H3BrF2O
Molecular Weight
233.010000
Exact Mass
231.933530
InChI
InChI=1S/C8H3BrF2O/c9-5-3-6(10)7(11)4-1-2-12-8(4)5/h1-3H
InChIKey
DCNVPYHWDHKFIW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
1
Molar refractivity
43.83
TPSA
13.14

LogP / Solubility

WLOGP
3.47
MLOGP
3.06
XLogP3
3.2
Consensus LogP
3.24
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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