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CAS 5590-43-2 5-Bromo-2,3-dihydrobenzofuran-3-ol molecular structure lightbox
CAS RN: 5590-43-2

5-Bromo-2,3-dihydrobenzofuran-3-ol

  • Product code: SSC-163853
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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 5590-43-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

5590-43-2 / 5-bromo-2,3-dihydro-1-benzofuran-3-ol

Standard CAS: 5590-43-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5590-43-2
Multi CAS
No
Molecular Formula
C8H7BRO2
Molecular Weight
215.040000
Exact Mass
213.962940
InChI
InChI=1S/C8H7BrO2/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3,7,10H,4H2
InChIKey
QKYZCEGIXWRWLB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.6
TPSA
29.46

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
1.5
Consensus LogP
1.67
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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