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CAS 1646-54-4 1,4-Dibromo-2,3,5,6-tetramethylbenzene molecular structure lightbox
CAS RN: 1646-54-4

1,4-Dibromo-2,3,5,6-tetramethylbenzene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251026 250mg / 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Hebei 5-7 business days Inquiry
  • Product code: SSC-071954
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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: 25g
  • 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 1646-54-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry

1646-54-4 / 1,4-dibromo-2,3,5,6-tetramethylbenzene

Standard CAS: 1646-54-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1646-54-4
Multi CAS
No
Molecular Formula
C10H12Br2
Molecular Weight
292.010000
Exact Mass
291.928530
SMILES
CC1=C(C(=C(C(=C1Br)C)C)Br)C
InChI
InChI=1S/C10H12Br2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3
InChIKey
IEWAQZBDJDWANM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Molar refractivity
60.79
TPSA
0.0000

LogP / Solubility

WLOGP
4.45
MLOGP
3.92
XLogP3
4.8
Consensus LogP
4.39
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.35

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

GHS Hazard Statements
H413 (95.2%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

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