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CAS 5337-94-0 5-bromo-2,2-dimethyl-3H-benzofuran molecular structure lightbox
CAS RN: 5337-94-0

5-bromo-2,2-dimethyl-3H-benzofuran

  • Product code: SSC-160692
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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 5337-94-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

5337-94-0 / 5-bromo-2,2-dimethyl-3H-1-benzofuran

Standard CAS: 5337-94-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5337-94-0
Multi CAS
Yes
Molecular Formula
C10H11BRO
Molecular Weight
227.100000
Exact Mass
225.999330
InChI
InChI=1S/C10H11BrO/c1-10(2)6-7-5-8(11)3-4-9(7)12-10/h3-5H,6H2,1-2H3
InChIKey
OTTUXKDHMIKPFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
Molar refractivity
52.55
TPSA
9.23

LogP / Solubility

WLOGP
3.16
MLOGP
2.79
XLogP3
3.2
Consensus LogP
3.05
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly 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)
-1.86

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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