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CAS 82380-17-4 2-broMo-4-hydroxybenzonitrile molecular structure lightbox
CAS RN: 82380-17-4

2-broMo-4-hydroxybenzonitrile

  • Product code: SSC-190535
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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 82380-17-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

82380-17-4 / 2-bromo-4-hydroxybenzonitrile

Standard CAS: 82380-17-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
82380-17-4
Multi CAS
No
Molecular Formula
BC7H4ORn
Molecular Weight
198.020000
Exact Mass
196.947630
InChI
InChI=1S/C7H4BrNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10H
InChIKey
CGPTZCZFFUYDCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.52
TPSA
44.02

LogP / Solubility

WLOGP
2.03
MLOGP
1.78
XLogP3
2
Consensus LogP
1.94
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-2.49

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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