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CAS 40787-48-2 1,4-Dibromo-2,5-diethylbenzene molecular structure lightbox
CAS RN: 40787-48-2

1,4-Dibromo-2,5-diethylbenzene

  • Product code: SSC-149126
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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: 5g
  • 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 40787-48-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

40787-48-2 / 1,4-dibromo-2,5-diethylbenzene

Standard CAS: 40787-48-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40787-48-2
Multi CAS
No
Molecular Formula
C10H12BR2
Molecular Weight
292.010000
Exact Mass
291.928530
InChI
InChI=1S/C10H12Br2/c1-3-7-5-10(12)8(4-2)6-9(7)11/h5-6H,3-4H2,1-2H3
InChIKey
DNHRBCFMFYOUKM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
Molar refractivity
60.6
TPSA
0.0000

LogP / Solubility

WLOGP
4.34
MLOGP
3.83
XLogP3
4.9
Consensus LogP
4.36
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
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)
-1.42

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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