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CAS 117294-21-0 8-Bromo-2-tetralone molecular structure lightbox
CAS RN: 117294-21-0

8-Bromo-2-tetralone

Product Availability

Choose a grade to view its available package options.

10 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250403 1g In stock Inquiry
Batchno.20250212 250mg In stock Inquiry
Batchno.20251125 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260630 100g In stock Shanghai Inquiry
Batchno.20250802 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250621 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251218 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20251123 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250919 25g In stock Shanghai, Tianjin Inquiry
Batchno.20260123 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-017156
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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, 5g, 10g, 25g
  • 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 117294-21-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

117294-21-0 / 8-bromo-3,4-dihydro-1H-naphthalen-2-one

8-BROMO-1,2,3,4-TETRAHYDRONAPHTHALEN-2-ONE | RefChem:547670 | 853-258-9

Standard CAS: 117294-21-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
117294-21-0
Multi CAS
No
Molecular Formula
C10H9BrO
Molecular Weight
225.080000
Exact Mass
223.983680
SMILES
C1CC2=C(CC1=O)C(=CC=C2)Br
InChI
InChI=1S/C10H9BrO/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-3H,4-6H2
InChIKey
RWEVGLMABSFMKW-UHFFFAOYSA-N
Synonyms
8-BROMO-1,2,3,4-TETRAHYDRONAPHTHALEN-2-ONE RefChem:547670 853-258-9 8-BROMO-2-TETRALONE 8-bromo-3,4-dihydronaphthalen-2(1H)-one

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
Molar refractivity
51.17
TPSA
17.07

LogP / Solubility

WLOGP
2.51
MLOGP
2.21
XLogP3
2.3
Consensus LogP
2.34
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
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)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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