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CAS 35351-45-2 5-bromobenzofuran-2-carbonitrile molecular structure lightbox
CAS RN: 35351-45-2

5-bromobenzofuran-2-carbonitrile

  • Product code: SSC-142334
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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 35351-45-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

35351-45-2 / 5-bromo-1-benzofuran-2-carbonitrile

Standard CAS: 35351-45-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35351-45-2
Multi CAS
No
Molecular Formula
BC9H4ORn
Molecular Weight
222.040000
Exact Mass
220.947630
InChI
InChI=1S/C9H4BrNO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H
InChIKey
SBGMVGYYYFGZJF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
48.63
TPSA
36.93

LogP / Solubility

WLOGP
3.07
MLOGP
2.7
XLogP3
3.1
Consensus LogP
2.96
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly 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)
-1.9

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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