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CAS 61563-26-6 2,3-DIBROMOBENZALDEHYDE molecular structure lightbox
CAS RN: 61563-26-6

2,3-DIBROMOBENZALDEHYDE

  • Product code: SSC-170500
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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: ＞97%
  • 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 61563-26-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

61563-26-6 / 2,3-dibromobenzaldehyde

Standard CAS: 61563-26-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61563-26-6
Multi CAS
No
Molecular Formula
C7H4BR2O
Molecular Weight
263.910000
Exact Mass
263.860840
InChI
InChI=1S/C7H4Br2O/c8-6-3-1-2-5(4-10)7(6)9/h1-4H
InChIKey
GEICDMWIZIQEEI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
47.23
TPSA
17.07

LogP / Solubility

WLOGP
3.02
MLOGP
2.67
XLogP3
2.8
Consensus LogP
2.83
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
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)
-2.18

Drug-likeness / Medicinal Chemistry

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

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