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CAS 35351-21-4 5-broMobenzofuran-2-carboxaMide molecular structure lightbox
CAS RN: 35351-21-4

5-broMobenzofuran-2-carboxaMide

  • Product code: SSC-142331
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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 35351-21-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

35351-21-4 / 5-bromo-1-benzofuran-2-carboxamide

Standard CAS: 35351-21-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35351-21-4
Multi CAS
No
Molecular Formula
BC9H6O2Rn
Molecular Weight
240.050000
Exact Mass
238.958190
InChI
InChI=1S/C9H6BrNO2/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H2,11,12)
InChIKey
VYOHEOKELADMTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.43
TPSA
56.23

LogP / Solubility

WLOGP
2.29
MLOGP
2.02
XLogP3
2.2
Consensus LogP
2.17
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
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)
-2.56

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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