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CAS 1643577-34-7 1,2-Dibromobenzene-3,4,5,6-d4 molecular structure lightbox
CAS RN: 1643577-34-7

1,2-Dibromobenzene-3,4,5,6-d4

  • Product code: SSC-071788
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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 1643577-34-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1643577-34-7 / 1,2-dibromo-3,4,5,6-tetradeuteriobenzene

Standard CAS: 1643577-34-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1643577-34-7
Multi CAS
No
Molecular Formula
C6H4Br2
Molecular Weight
239.930000
Exact Mass
239.891030
SMILES
[2H]C1=C(C(=C(C(=C1[2H])Br)Br)[2H])[2H]
InChI
InChI=1S/C6H4Br2/c7-5-3-1-2-4-6(5)8/h1-4H/i1D,2D,3D,4D
InChIKey
WQONPSCCEXUXTQ-RHQRLBAQSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
Molar refractivity
41.84
TPSA
0.0000

LogP / Solubility

WLOGP
3.21
MLOGP
2.83
XLogP3
3.6
Consensus LogP
3.21
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-1.88

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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