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CAS 821-06-7 (E)-1,4-Dibromobut-2-ene molecular structure lightbox
CAS RN: 821-06-7

(E)-1,4-Dibromobut-2-ene

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260610 100g In stock Inquiry
Batchno.20250414 25g In stock Inquiry
Batchno.20251227 500g In stock Inquiry
Batchno.20250812 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251226 5g / 25g / 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shanghai, Shandong, Chongqing, Guangdong Inquiry
  • Product code: SSC-190322
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10g, 25g, 100g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 821-06-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 5 In Stock Hong Kong Inquiry
25g >97% 1 In Stock Shanghai Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry
500g >97% 0 Out of Stock Hong Kong Inquiry

821-06-7 / 1,4-dibromobut-2-ene

Standard CAS: 821-06-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
821-06-7
Multi CAS
Yes
Molecular Formula
C4H6BR2
Molecular Weight
213.900000
Exact Mass
213.881580
InChI
InChI=1S/C4H6Br2/c5-3-1-2-4-6/h1-2H,3-4H2
InChIKey
RMXLHIUHKIVPAB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
Molar refractivity
36.73
TPSA
0.0000

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
2.1
Consensus LogP
2.16
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.23
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)
-2.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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