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CAS 5400-80-6 2-Bromo-1-indanol molecular structure lightbox
CAS RN: 5400-80-6

2-Bromo-1-indanol

Product Availability

Choose a grade to view its available package options.

9 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260419 250g In stock Inquiry
Batchno.20250614 25g In stock Inquiry
Batchno.20260305 50g In stock Inquiry
Batchno.20250711 5g In stock Inquiry
Batchno.20250905 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250901 100g Out of stock Inquiry
Batchno.20260527 25g Out of stock Inquiry
Batchno.20250502 500g Out of stock Inquiry
Batchno.20260308 5g Out of stock Inquiry
  • Product code: SSC-161504
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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: 100g
  • Available purity: ≥98%
  • 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 5400-80-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

5400-80-6 / 2-bromo-2,3-dihydro-1H-inden-1-ol

Standard CAS: 5400-80-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5400-80-6
Multi CAS
Yes
Molecular Formula
C9H9BRO
Molecular Weight
213.070000
Exact Mass
211.983680
InChI
InChI=1S/C9H9BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5H2
InChIKey
RTESDSDXFLYAKZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.82
TPSA
20.23

LogP / Solubility

WLOGP
2.04
MLOGP
1.8
XLogP3
1.9
Consensus LogP
1.91
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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