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CAS 1033202-08-2 8-Bromo-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde molecular structure lightbox
CAS RN: 1033202-08-2

8-Bromo-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250523 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1033202-08-2
  • Purity/Analytical Methods: >99.0%
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1033202-08-2 / 8-bromo-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde

8-Bromo-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde | MFCD10699669 | SCHEMBL29956028

Standard CAS: 1033202-08-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1033202-08-2
Multi CAS
No
Molecular Formula
C9H7BrN2O
Molecular Weight
239.070000
Exact Mass
237.974180
SMILES
CC1=CN2C(=CN=C2C(=C1)Br)C=O
InChI
InChI=1S/C9H7BrN2O/c1-6-2-8(10)9-11-3-7(5-13)12(9)4-6/h2-5H,1H3
InChIKey
BUUMCTHNWPJIMU-UHFFFAOYSA-N
Synonyms
8-Bromo-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde MFCD10699669 SCHEMBL29956028 8-bromo-6-methylH-imidazo[1,2-a]pyridine-3-carbaldehyde DTXSID30674516

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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