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CAS 90407-21-9 2-BroMo-3-nitrobenzaldehyde molecular structure lightbox
CAS RN: 90407-21-9

2-BroMo-3-nitrobenzaldehyde

  • Product code: SSC-202917
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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: 10g
  • 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 90407-21-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

90407-21-9 / 2-bromo-3-nitrobenzaldehyde

Standard CAS: 90407-21-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90407-21-9
Multi CAS
No
Molecular Formula
BC7H4O3Rn
Molecular Weight
230.020000
Exact Mass
228.937460
InChI
InChI=1S/C7H4BrNO3/c8-7-5(4-10)2-1-3-6(7)9(11)12/h1-4H
InChIKey
ZAYPDOMLBUBLDN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
46.18
TPSA
60.21

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
1.9
Consensus LogP
1.99
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
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)
-2.58

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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