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CAS 1367950-82-0 4-BroMo-7-azaindole-2-carbaldehyde molecular structure lightbox
CAS RN: 1367950-82-0

4-BroMo-7-azaindole-2-carbaldehyde

  • Product code: SSC-045850
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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 1367950-82-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1367950-82-0 / 4-bromo-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde

Standard CAS: 1367950-82-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1367950-82-0
Multi CAS
No
Molecular Formula
C8H5BrN2O
Molecular Weight
225.040000
Exact Mass
223.958530
SMILES
C1=CN=C2C(=C1Br)C=C(N2)C=O
InChI
InChI=1S/C8H5BrN2O/c9-7-1-2-10-8-6(7)3-5(4-12)11-8/h1-4H,(H,10,11)
InChIKey
MBPNCAYAHPWILN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.18
TPSA
45.75

LogP / Solubility

WLOGP
2.14
MLOGP
1.88
XLogP3
1.8
Consensus LogP
1.94
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

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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