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CAS 59785-43-2 Benzene,1,3-dibroMo-5-ethyl- molecular structure lightbox
CAS RN: 59785-43-2

Benzene,1,3-dibroMo-5-ethyl-

  • Product code: SSC-168336
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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: ≥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 59785-43-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

59785-43-2 / 1,3-dibromo-5-ethylbenzene

Standard CAS: 59785-43-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59785-43-2
Multi CAS
No
Molecular Formula
C8H8BR2
Molecular Weight
263.960000
Exact Mass
263.897230
InChI
InChI=1S/C8H8Br2/c1-2-6-3-7(9)5-8(10)4-6/h3-5H,2H2,1H3
InChIKey
IHFAYHLKBUGUOQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
Molar refractivity
51.22
TPSA
0.0000

LogP / Solubility

WLOGP
3.77
MLOGP
3.33
XLogP3
4.1
Consensus LogP
3.73
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
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)
-1.65

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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