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CAS 175878-06-5 3-BroMo-8-Methyl-iMidazo[1,2-a]pyridine-2-carbaldehyde molecular structure lightbox
CAS RN: 175878-06-5

3-BroMo-8-Methyl-iMidazo[1,2-a]pyridine-2-carbaldehyde

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260628 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS175878-06-5
  • Purity/Analytical Methods: >99.0%
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175878-06-5 / 3-bromo-8-methylimidazo[1,2-a]pyridine-2-carbaldehyde

Standard CAS: 175878-06-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
175878-06-5
Multi CAS
No
Molecular Formula
C9H7BrN2O
Molecular Weight
239.070000
Exact Mass
237.974180
SMILES
CC1=CC=CN2C1=NC(=C2Br)C=O
InChI
InChI=1S/C9H7BrN2O/c1-6-3-2-4-12-8(10)7(5-13)11-9(6)12/h2-5H,1H3
InChIKey
RJRQJKLYBMQRHG-UHFFFAOYSA-N

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
2.9
Consensus LogP
2.36
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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