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CAS 59533-63-0 (3E)-1,6-Dibromo-3-hexene molecular structure lightbox
CAS RN: 59533-63-0

(3E)-1,6-Dibromo-3-hexene

  • Product code: SSC-167994
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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
  • 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 59533-63-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

59533-63-0 / (E)-1,6-dibromohex-3-ene

Standard CAS: 59533-63-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59533-63-0
Multi CAS
Yes
Molecular Formula
C6H10BR2
Molecular Weight
241.950000
Exact Mass
241.912880
InChI
InChI=1S/C6H10Br2/c7-5-3-1-2-4-6-8/h1-2H,3-6H2/b2-1+
InChIKey
QBGNQGGJSCRVJJ-OWOJBTEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
4
Molar refractivity
45.96
TPSA
0.0000

LogP / Solubility

WLOGP
3.11
MLOGP
2.74
XLogP3
3
Consensus LogP
2.95
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly 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)
-1.99

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
1.5

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