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CAS 1784871-38-0 5-bromo-3-isopropyl-2-methyl-3H-imidazo[4,5-b]pyridine molecular structure lightbox
CAS RN: 1784871-38-0

5-bromo-3-isopropyl-2-methyl-3H-imidazo[4,5-b]pyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250113 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1784871-38-0
  • Purity/Analytical Methods: >99.0%
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1784871-38-0 / 5-bromo-2-methyl-3-propan-2-ylimidazo[4,5-b]pyridine

Standard CAS: 1784871-38-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1784871-38-0
Multi CAS
No
Molecular Formula
C10H12BrN3
Molecular Weight
254.130000
Exact Mass
253.021460
SMILES
CC1=NC2=C(N1C(C)C)N=C(C=C2)Br
InChI
InChI=1S/C10H12BrN3/c1-6(2)14-7(3)12-8-4-5-9(11)13-10(8)14/h4-6H,1-3H3
InChIKey
KARQRQWTKJYTON-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
60.35
TPSA
30.71

LogP / Solubility

WLOGP
3.08
MLOGP
2.72
XLogP3
2.8
Consensus LogP
2.87
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
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)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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