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CAS 58863-48-2 BENZOFURAN, 3-BROMO-2-METHYL- molecular structure lightbox
CAS RN: 58863-48-2

BENZOFURAN, 3-BROMO-2-METHYL-

  • Product code: SSC-167179
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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 58863-48-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

58863-48-2 / 3-bromo-2-methyl-1-benzofuran

Standard CAS: 58863-48-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58863-48-2
Multi CAS
No
Molecular Formula
C9H7BRO
Molecular Weight
211.050000
Exact Mass
209.968030
InChI
InChI=1S/C9H7BrO/c1-6-9(10)7-4-2-3-5-8(7)11-6/h2-5H,1H3
InChIKey
OEGMISNFEAVBHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
1
Molar refractivity
48.65
TPSA
13.14

LogP / Solubility

WLOGP
3.5
MLOGP
3.08
XLogP3
3.4
Consensus LogP
3.33
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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)
-1.52

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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