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CAS 28165-66-4 3-bromo-5-fluoro-2-hydroxybenzonitrile molecular structure lightbox
CAS RN: 28165-66-4

3-bromo-5-fluoro-2-hydroxybenzonitrile

  • Product code: SSC-128890
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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 28165-66-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

28165-66-4 / 3-bromo-5-fluoro-2-hydroxybenzonitrile

Standard CAS: 28165-66-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28165-66-4
Multi CAS
No
Molecular Formula
C7H3BrFNO
Molecular Weight
216.010000
Exact Mass
214.938200
InChI
InChI=1S/C7H3BrFNO/c8-6-2-5(9)1-4(3-10)7(6)11/h1-2,11H
InChIKey
GIXOWHHWTQZRST-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.48
TPSA
44.02

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
2.6
Consensus LogP
2.23
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5

Drug-likeness / Medicinal Chemistry

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

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