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CAS 1126636-93-8 6-bromo-8-methylH-imidazo[1,2-a]pyridine-3-carbaldehyde molecular structure lightbox
CAS RN: 1126636-93-8

6-bromo-8-methylH-imidazo[1,2-a]pyridine-3-carbaldehyde

  • Product code: SSC-013005
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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 1126636-93-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1126636-93-8 / 6-bromo-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde

6-bromo-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde | SCHEMBL1865829 | CBXMTMFQOVHGHD-UHFFFAOYSA-N

Standard CAS: 1126636-93-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1126636-93-8
Multi CAS
No
Molecular Formula
C9H7BrN2O
Molecular Weight
239.070000
Exact Mass
237.974180
SMILES
CC1=CC(=CN2C1=NC=C2C=O)Br
InChI
InChI=1S/C9H7BrN2O/c1-6-2-7(10)4-12-8(5-13)3-11-9(6)12/h2-5H,1H3
InChIKey
CBXMTMFQOVHGHD-UHFFFAOYSA-N
Synonyms
6-bromo-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde SCHEMBL1865829 CBXMTMFQOVHGHD-UHFFFAOYSA-N BVB63693 MFCD14559256

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
53.02
TPSA
34.37

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
2.6
Consensus LogP
2.26
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
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)
-2.6

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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